ENTRY D01161 Drug ATOM 41 1 C8x C 7.4203 -16.5528 2 C8y C 7.4203 -17.9330 3 C8x C 8.6185 -18.6231 4 C8x C 8.6185 -15.8628 5 C8y C 9.8096 -16.5528 6 C8y C 9.8037 -17.9330 7 C1x C 10.9960 -18.6281 8 C1y C 12.1942 -17.9432 9 C1y C 11.0077 -15.8679 10 C1y C 12.1942 -16.5658 11 C1x C 12.2169 -13.8129 12 C1x C 11.0191 -14.4913 13 C1z C 13.4035 -14.5109 14 C1y C 13.3866 -15.8831 15 C1x C 15.7638 -15.9121 16 C1x C 15.7803 -14.5396 17 C1y C 14.6003 -13.8392 18 O1a O 14.7331 -12.4541 19 O1a O 6.2253 -18.6237 20 C1b C 13.3801 -18.6301 21 C1b C 14.5721 -17.9469 22 C1b C 15.7641 -18.6370 23 C1b C 16.9561 -17.9539 24 C1b C 18.1480 -18.6440 25 C1b C 19.3400 -17.9609 26 C1b C 20.5319 -18.6510 27 C1b C 21.7239 -17.9678 28 C1b C 22.9159 -18.6579 29 S4a S 24.1078 -17.9748 30 C1b C 25.2998 -18.6649 31 C1b C 26.4917 -17.9819 32 C1b C 27.6837 -18.6720 33 C1d C 28.8756 -17.9887 34 O3c O 24.1108 -16.5946 35 X F 29.9914 -17.2156 36 X F 27.8928 -17.0058 37 C1a C 13.3941 -13.1303 38 C1d C 29.8649 -18.9778 39 X F 30.8541 -19.9671 40 X F 31.0764 -18.2784 41 X F 28.6534 -19.6773 BOND 44 1 4 1 1 2 2 19 1 3 1 2 2 4 8 20 1 #Down 5 9 10 1 6 20 21 1 7 10 14 1 8 21 22 1 9 13 11 1 10 22 23 1 11 11 12 1 12 23 24 1 13 12 9 1 14 24 25 1 15 2 3 1 16 25 26 1 17 3 6 2 18 26 27 1 19 5 6 1 20 27 28 1 21 6 7 1 22 28 29 1 23 7 8 1 24 29 30 1 25 13 14 1 26 30 31 1 27 15 16 1 28 31 32 1 29 16 17 1 30 32 33 1 31 17 13 1 32 29 34 2 33 14 15 1 34 8 10 1 35 17 18 1 #Up 36 9 5 1 37 33 35 1 38 5 4 2 39 33 36 1 40 13 37 1 #Up 41 33 38 1 42 38 39 1 43 38 40 1 44 38 41 1 ///