@MOLECULE (9beta,16beta,20xi)-16,25-dihydroxy-20,24-epoxy-9,19-cyclolanostan-3-one 34 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.8081 0.3899 -1.8940 C.1 1 UNL1 -0.6509 2 O 3.3831 -3.4154 -1.2660 O.2 2 UNL2 -0.1908 3 C 3.4611 -2.7539 -0.3261 C.1 2 UNL2 0.6392 4 C 3.5346 -2.0411 0.7659 C.2 2 UNL2 -0.6801 5 C 3.0435 -1.6197 2.0572 C.3 2 UNL2 0.4303 6 C -3.9262 -0.0003 -0.2377 C.2 1 UNL1 -0.2088 7 C -1.3553 -0.4431 -0.4076 C.3 1 UNL1 0.2539 8 C -2.6945 -0.5493 -0.2953 C.2 1 UNL1 -0.0281 9 C -5.9713 -1.4388 0.5082 C.1 1 UNL1 -0.5786 10 C -6.9808 -2.1863 0.8679 C.1 1 UNL1 0.6586 11 C -5.3936 2.1803 -0.1801 C.2 1 UNL1 -0.8956 12 C -4.9883 -0.7409 0.1751 C.3 1 UNL1 0.5672 13 C -4.0731 1.5217 -0.3839 C.3 1 UNL1 -0.0499 14 C -2.8391 1.9952 0.1365 C.2 1 UNL1 -0.1162 15 C -1.6922 1.6895 0.4328 C.2 1 UNL1 -0.0180 16 C -0.6987 0.6856 0.4312 C.3 1 UNL1 -0.2270 17 C 0.2092 -1.9096 -2.1598 C.3 1 UNL1 0.3584 18 C -0.4825 -1.1288 -1.2085 C.2 1 UNL1 -0.5210 19 C 1.5761 0.1504 -0.8056 C.2 1 UNL1 -0.1279 20 C 0.8323 0.9493 0.2333 C.3 1 UNL1 -0.4676 21 C 1.4192 2.2943 0.2620 C.3 1 UNL1 0.2802 22 C 2.8312 2.0746 -0.2863 C.2 1 UNL1 0.1932 23 C 2.8411 0.7784 -1.0950 C.2 1 UNL1 0.1927 24 C -6.3305 2.6364 0.5924 C.2 1 UNL1 0.5355 25 C -4.8287 2.1707 -1.5204 C.3 1 UNL1 0.5189 26 C 0.3083 0.3534 1.5119 C.3 1 UNL1 0.5580 27 C 0.9029 -0.8380 -1.3994 C.2 1 UNL1 -0.1651 28 C 4.7549 0.0445 -2.6849 C.1 1 UNL1 0.3429 29 O -7.8685 -2.8406 1.1857 O.3 1 UNL1 -0.1192 30 C 5.2727 -0.2218 1.4008 C.2 2 UNL2 -0.1166 31 C 4.2417 -1.0113 1.4822 C.2 2 UNL2 -0.1951 32 C 6.4548 0.6002 1.1663 C.3 2 UNL2 0.4327 33 O 5.7791 0.7627 2.2999 O.2 2 UNL2 -0.3198 34 O 3.7835 2.7673 -0.0717 O.2 1 UNL1 -0.2856 @BOND 1 28 1 3 2 17 27 1 3 17 18 1 4 1 23 1 5 25 13 1 6 25 11 1 7 27 18 2 8 27 19 1 9 2 3 2 10 18 7 1 11 23 19 2 12 23 22 1 13 19 20 1 14 7 8 1 15 7 16 1 16 13 6 1 17 13 11 1 18 13 14 1 19 3 4 2 20 8 6 2 21 22 34 2 22 22 21 1 23 6 12 1 24 11 24 2 25 14 15 2 26 12 9 1 27 20 21 1 28 20 16 1 29 20 26 1 30 16 15 1 31 16 26 1 32 9 10 3 33 4 31 1 34 4 5 1 35 10 29 1 36 32 30 1 37 32 33 1 38 30 31 2 39 30 33 1 40 31 5 1