@MOLECULE n-butyl-8-[(13s,17r)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthren-17-yl]-n-methyl-7-octynamide 35 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.6050 -4.4492 -0.2135 O.2 1 UNL1 -0.3145 2 O -11.2065 1.1177 0.3316 O.2 1 UNL1 -0.2951 3 O 9.8555 -0.8627 -0.8709 O.2 1 UNL1 -0.2491 4 N 9.2519 0.4061 0.9658 N.am 1 UNL1 -0.2862 5 C -2.4860 1.3463 -0.2714 C.ar 1 UNL1 -0.4560 6 C -3.2543 0.0950 -0.1698 C.ar 1 UNL1 0.0661 7 C -4.6549 0.0759 -0.0716 C.ar 1 UNL1 0.0358 8 C -1.1268 -3.3372 -0.1844 C.2 1 UNL1 0.4977 9 C -5.5227 1.3236 -0.0624 C.ar 1 UNL1 0.0332 10 C -3.3858 2.4251 -0.2541 C.ar 1 UNL1 0.0000 11 C -2.5364 -1.1021 -0.1734 C.1 1 UNL1 0.0083 12 C -1.8946 -2.1361 -0.1784 C.1 1 UNL1 -0.1716 13 C -4.6513 2.3971 -0.1708 C.ar 1 UNL1 -0.0458 14 C -5.5141 -1.0042 0.0319 C.ar 1 UNL1 -0.0556 15 C -1.1530 1.4913 -0.3653 C.3 1 UNL1 0.5307 16 C -6.9049 1.2959 0.0340 C.ar 1 UNL1 0.0270 17 C -6.7851 -1.0546 0.1184 C.ar 1 UNL1 0.0056 18 C -7.7093 -0.0254 0.1442 C.ar 1 UNL1 0.0010 19 C 0.2877 -3.1075 -0.1517 C.1 1 UNL1 -0.0792 20 C -7.8571 2.3138 0.0607 C.2 1 UNL1 -0.0305 21 C -9.0514 0.0586 0.2296 C.3 1 UNL1 -0.0289 22 C -9.1070 2.3016 0.1433 C.2 1 UNL1 -0.1367 23 C 1.4951 -2.8840 -0.1207 C.1 1 UNL1 0.0021 24 C -10.0109 1.1704 0.2506 C.2 1 UNL1 0.4457 25 C 2.7918 -2.6095 -0.0909 C.3 1 UNL1 0.0336 26 C 4.0236 -2.2945 -0.0710 C.1 1 UNL1 0.0154 27 C 5.2469 -1.9494 -0.0545 C.1 1 UNL1 -0.0223 28 C 6.5048 -1.5301 -0.0573 C.1 1 UNL1 0.1325 29 C 7.6612 -1.1141 -0.0436 C.1 1 UNL1 -0.2159 30 C 8.9741 -0.6066 -0.1123 C.2 1 UNL1 0.5859 31 C 9.6258 1.6307 0.5276 C.1 1 UNL1 -0.6573 32 C 9.2164 0.3190 2.2429 C.3 1 UNL1 0.6049 33 C 9.9714 2.7236 0.0397 C.1 1 UNL1 0.5221 34 C 10.3138 3.8851 -0.4389 C.1 1 UNL1 -0.8105 35 C 10.6411 5.0160 -0.9039 C.1 1 UNL1 0.3077 @BOND 1 35 34 3 2 3 30 2 3 34 33 1 4 15 5 1 5 5 10 ar 6 5 6 ar 7 10 13 ar 8 1 8 2 9 8 12 1 10 8 19 1 11 12 11 3 12 11 6 1 13 13 9 ar 14 6 7 ar 15 19 23 3 16 23 25 1 17 30 29 1 18 30 4 am 19 25 26 1 20 7 9 ar 21 7 14 ar 22 26 27 3 23 9 16 ar 24 28 27 1 25 28 29 3 26 14 17 ar 27 16 20 1 28 16 18 ar 29 33 31 3 30 20 22 2 31 17 18 ar 32 22 24 1 33 18 21 1 34 21 24 1 35 24 2 2 36 31 4 1 37 4 32 1