Mrv1652307101705452D 208216 0 0 0 0 999 V2000 1.0751 -6.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7893 -6.9793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0755 -5.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5041 -6.5671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7889 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5032 -8.2172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3603 -6.9784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0684 -6.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0689 -7.8025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 -6.5654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3533 -5.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0676 -5.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 -4.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7822 -5.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4966 -5.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4961 -4.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7814 -4.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2102 -4.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7826 -6.5646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2115 -6.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4974 -6.9767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2111 -5.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4978 -7.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7835 -8.2146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9262 -6.9759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3552 -6.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3557 -7.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6404 -6.5630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3539 -4.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 -5.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3543 -5.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0681 -4.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0694 -6.5621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4984 -6.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0706 -9.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4980 -5.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7841 -6.9743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3564 -9.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7846 -7.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0702 -8.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7853 -9.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2131 -6.9736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9272 -5.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2127 -5.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9275 -6.5608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.6420 -6.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3567 -6.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1413 -6.8155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6260 -6.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1406 -5.4805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3561 -5.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6416 -5.3232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3560 -4.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6415 -4.4981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.0705 -4.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9270 -4.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9269 -3.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2123 -2.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6413 -2.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6412 -2.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2122 -2.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9267 -1.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3560 -3.2605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.6429 -3.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0704 -2.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3574 -2.8478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3559 -1.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9284 -2.8478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0704 -2.8480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.6430 -4.0854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.2139 -3.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7849 -3.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4994 -2.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7849 -1.6104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0705 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3560 -0.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7849 -0.7856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.4993 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4993 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8319 0.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0868 1.7213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9119 1.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1668 0.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9736 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4638 2.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2708 2.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5257 1.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0704 0.4519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3559 1.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0703 2.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3559 0.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6414 2.1018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9271 3.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2125 2.9270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6415 2.9269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.2141 3.3390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4995 2.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3561 3.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7851 3.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0705 2.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9271 4.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4588 3.2624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1261 2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3193 1.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9068 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4588 4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1733 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7444 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0299 5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7444 5.3251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3155 5.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4588 5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4588 6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1734 5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0299 6.5626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6010 6.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8865 6.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3154 6.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6011 5.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 5.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 6.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8867 5.3249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3160 2.0249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3159 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8867 4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6013 3.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6012 4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4577 5.3249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0286 5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0286 4.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7431 5.7374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1725 9.0374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1724 8.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 6.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4579 7.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4578 6.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3141 5.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1148 5.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7431 1.6123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1148 6.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0287 2.8499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 5.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3142 1.6123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3142 3.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3141 4.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 5.3249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1146 9.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2582 5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4001 9.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2582 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1147 8.2124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 5.7374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8291 9.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 6.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9727 5.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9256 4.0150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5908 4.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8457 3.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6707 3.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 4.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 5.2524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3545 4.0150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7836 4.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 4.4275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7836 3.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 5.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7836 5.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 5.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4980 4.4275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9269 4.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9270 5.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2124 4.0149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7831 0.7150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7833 1.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2123 3.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4977 1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4979 2.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6414 4.0149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0704 4.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3559 4.4274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0704 3.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3559 5.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6414 5.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0704 5.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7849 4.4274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2139 4.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2139 5.2524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4994 4.0149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4994 3.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2139 2.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2139 1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9284 3.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6429 2.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6429 1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9284 1.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3574 1.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9283 4.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8813 5.7374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5464 5.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8015 6.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6264 6.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5958 5.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5957 4.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3102 5.7374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 2 4 1 1 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 1 7 1 0 0 0 0 9 8 2 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 10 7 1 6 0 0 0 12 11 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 17 13 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 17 16 2 0 0 0 0 18 16 1 0 0 0 0 8 19 1 0 0 0 0 21 20 1 0 0 0 0 22 20 2 0 0 0 0 21 19 1 1 0 0 0 23 21 1 0 0 0 0 24 23 1 0 0 0 0 20 25 1 0 0 0 0 27 26 2 0 0 0 0 28 26 1 0 0 0 0 28 25 1 6 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 29 1 0 0 0 0 31 30 1 0 0 0 0 26 33 1 0 0 0 0 36 34 2 0 0 0 0 37 34 1 0 0 0 0 40 35 1 0 0 0 0 38 35 2 0 0 0 0 41 35 1 0 0 0 0 39 37 1 0 0 0 0 37 33 1 1 0 0 0 40 39 1 0 0 0 0 34 42 1 0 0 0 0 44 43 2 0 0 0 0 45 43 1 0 0 0 0 46 45 1 0 0 0 0 45 42 1 1 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 51 47 2 0 0 0 0 49 48 1 0 0 0 0 50 49 2 0 0 0 0 51 50 1 0 0 0 0 43 52 1 0 0 0 0 54 53 1 0 0 0 0 55 53 2 0 0 0 0 56 54 1 0 0 0 0 54 52 1 6 0 0 0 57 56 1 0 0 0 0 58 57 2 0 0 0 0 59 57 1 0 0 0 0 61 58 1 0 0 0 0 60 59 2 0 0 0 0 62 60 1 0 0 0 0 62 61 2 0 0 0 0 53 63 1 0 0 0 0 66 64 2 0 0 0 0 68 64 1 0 0 0 0 70 64 1 0 0 0 0 69 65 1 0 0 0 0 67 65 2 0 0 0 0 71 68 1 0 0 0 0 72 69 1 0 0 0 0 69 63 1 1 0 0 0 73 71 1 0 0 0 0 73 72 1 0 0 0 0 65 74 1 0 0 0 0 76 75 2 0 0 0 0 77 75 1 0 0 0 0 78 77 1 0 0 0 0 77 74 1 1 0 0 0 79 78 1 0 0 0 0 80 79 2 0 0 0 0 83 79 1 0 0 0 0 81 80 1 0 0 0 0 82 81 1 0 0 0 0 83 82 2 0 0 0 0 85 82 1 0 0 0 0 84 83 1 0 0 0 0 87 84 2 0 0 0 0 86 85 2 0 0 0 0 87 86 1 0 0 0 0 75 88 1 0 0 0 0 91 89 1 0 0 0 0 90 89 2 0 0 0 0 88 91 1 0 0 0 0 89 92 1 0 0 0 0 94 93 1 0 0 0 0 95 93 1 0 0 0 0 95 92 1 1 0 0 0 98 95 1 0 0 0 0 97 96 1 0 0 0 0 99 97 1 0 0 0 0 100 98 1 0 0 0 0 100 99 1 0 0 0 0 93101 2 0 0 0 0 94102 1 0 0 0 0 105102 1 0 0 0 0 103 94 1 0 0 0 0 104103 1 0 0 0 0 105104 1 0 0 0 0 102106 1 6 0 0 0 106107 2 0 0 0 0 106108 1 0 0 0 0 110109 1 0 0 0 0 111109 2 0 0 0 0 110108 1 1 0 0 0 112110 1 0 0 0 0 113112 1 0 0 0 0 114112 1 0 0 0 0 109115 1 0 0 0 0 118116 1 0 0 0 0 117116 2 0 0 0 0 115118 1 0 0 0 0 116119 1 0 0 0 0 121120 2 0 0 0 0 122120 1 0 0 0 0 122119 1 6 0 0 0 125122 1 0 0 0 0 124123 1 0 0 0 0 126124 1 0 0 0 0 127125 1 0 0 0 0 127126 1 0 0 0 0 120128 1 0 0 0 0 130129 2 0 0 0 0 131129 1 0 0 0 0 131128 1 1 0 0 0 134131 1 0 0 0 0 133132 1 0 0 0 0 135133 1 0 0 0 0 136134 1 0 0 0 0 136135 1 0 0 0 0 129137 1 0 0 0 0 140138 2 0 0 0 0 142138 1 0 0 0 0 144138 1 0 0 0 0 143139 1 0 0 0 0 141139 2 0 0 0 0 145142 1 0 0 0 0 146143 1 0 0 0 0 143137 1 6 0 0 0 147145 1 0 0 0 0 147146 1 0 0 0 0 139148 1 0 0 0 0 151149 2 0 0 0 0 153149 1 0 0 0 0 155149 1 0 0 0 0 154150 1 0 0 0 0 152150 1 0 0 0 0 156153 1 0 0 0 0 157154 1 0 0 0 0 154148 1 1 0 0 0 158156 1 0 0 0 0 158157 1 0 0 0 0 150159 2 0 0 0 0 152160 1 0 0 0 0 163160 1 0 0 0 0 161152 1 0 0 0 0 162161 1 0 0 0 0 163162 1 0 0 0 0 160164 1 6 0 0 0 164165 2 0 0 0 0 164166 1 0 0 0 0 168167 1 0 0 0 0 169167 2 0 0 0 0 168166 1 1 0 0 0 170168 1 0 0 0 0 171170 1 0 0 0 0 172170 1 0 0 0 0 167173 1 0 0 0 0 175174 2 0 0 0 0 176174 1 0 0 0 0 176173 1 6 0 0 0 179176 1 0 0 0 0 178177 1 0 0 0 0 180178 1 0 0 0 0 181179 1 0 0 0 0 181180 1 0 0 0 0 174182 1 0 0 0 0 184183 1 0 0 0 0 185183 2 0 0 0 0 184182 1 1 0 0 0 186184 1 0 0 0 0 187186 1 0 0 0 0 188186 1 0 0 0 0 183189 1 0 0 0 0 191190 1 0 0 0 0 192190 1 0 0 0 0 193192 1 0 0 0 0 192189 1 6 0 0 0 194193 1 0 0 0 0 195194 2 0 0 0 0 196194 1 0 0 0 0 199195 1 0 0 0 0 197196 2 0 0 0 0 198197 1 0 0 0 0 199198 2 0 0 0 0 200198 1 0 0 0 0 190201 2 0 0 0 0 191202 1 0 0 0 0 205202 1 0 0 0 0 203191 1 0 0 0 0 204203 1 0 0 0 0 205204 1 0 0 0 0 202206 1 1 0 0 0 206207 2 0 0 0 0 206208 1 0 0 0 0 M END > DB01284 > drugbank > CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(O)=O > InChI=1S/C136H210N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79/h8-12,27-30,41-48,68-69,74-77,86,88-105,109-111,152,177-180H,13-26,31-40,49-67,70-73,137-141H2,1-7H3,(H,148,155)(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,109-,110-,111-/m0/s1 > ZOEFCCMDUURGSE-SQKVDDBVSA-N > C136H210N40O31S > 2933.49 > 2931.580641316 > 46 > 418 > 309.3538357471915 > 0 > 42 > 0 > 0 > (2S)-1-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-{2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-3-(1H-imidazol-5-yl)propanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]acetamido}hexanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]acetamido}hexanamido]hexanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]hexanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid > -0.95 > -14.065533676163856 > -4.79 > 1 > 9 > 6 > 3.668667632192197 > 3.03251153787585 > 12.384761891079973 > 1158.72 > 790.9825000000003 > 93 > 0 > 4.81e-02 g/l > cosyntropin > 0 > DB01284 > approved > Tetracosactide > adrenocorticotropic hormone 1-24; Adrenocorticotropic hormone fragment 1-24 human, rat; alpha(1-24)-corticotrophin; ATCH (1-24); beta(1-24)-corticotrophin; Corticotropin tetracosapeptide; corticotropin-(1-24); corticotropin-(1-24) tetracosapeptide; Cosyntropin; Tetracosactida; Tetracosactide; Tetracosactrin; α1-24-corticotrophin; β1-24-corticotrophin > Cortrosyn; Cortrosyn Inj 0.25mg; Cosyntropin; Synacthen Depot > Tetracosactide acetate $$$$