@MOLECULE (24xi)-stigmastane-3,7,12,24-tetrol 33 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.9148 -2.1275 -3.6375 O.3 1 UNL1 -0.2369 2 O 1.0795 1.3383 -1.7499 O.2 1 UNL1 -0.3555 3 O 7.1397 2.6229 1.8390 O.2 1 UNL1 -0.3571 4 O -4.7001 3.5229 -0.2953 O.2 1 UNL1 -0.3117 5 C -1.9744 -3.1425 0.9857 C.2 1 UNL1 -0.6757 6 C 1.0359 -0.8625 0.0697 C.1 1 UNL1 0.0567 7 C 2.1319 -0.2832 -0.3623 C.3 1 UNL1 -0.1579 8 C 3.4276 -0.9883 -0.3874 C.3 1 UNL1 0.3749 9 C 4.1023 -1.2496 0.9179 C.2 1 UNL1 -0.5758 10 C -2.6372 -1.9102 0.6553 C.2 1 UNL1 0.2945 11 C 4.4635 -1.7662 -2.6313 C.1 1 UNL1 0.5506 12 C 3.9592 -1.3784 -1.5148 C.1 1 UNL1 -0.5554 13 C 4.0122 2.5283 -0.0831 C.1 1 UNL1 0.0083 14 C -0.0594 -1.4167 0.3969 C.1 1 UNL1 -0.0621 15 C 1.9877 1.0924 -0.9953 C.2 1 UNL1 0.4837 16 C -1.2114 -1.9590 0.6341 C.2 1 UNL1 0.0787 17 C 3.0041 1.9576 -0.5771 C.1 1 UNL1 -0.0866 18 C 4.9892 -0.2396 1.2842 C.1 1 UNL1 0.1161 19 C -2.0946 -4.4023 1.3345 C.2 1 UNL1 0.5776 20 C -3.8127 -1.2950 0.4952 C.3 1 UNL1 -0.2249 21 C 5.0739 2.6365 0.6201 C.3 1 UNL1 -0.0414 22 C 3.8944 -2.3674 1.6134 C.2 1 UNL1 0.5474 23 C 5.6646 0.7582 1.4639 C.1 1 UNL1 -0.2539 24 C 6.1449 2.1225 1.3866 C.2 1 UNL1 0.5123 25 C -3.9534 0.0774 0.2066 C.1 1 UNL1 0.0339 26 C -5.0405 -2.0907 0.6560 C.3 1 UNL1 0.2209 27 C -4.3551 1.2062 -0.0090 C.1 1 UNL1 -0.2118 28 C -5.1198 2.3974 -0.2364 C.2 1 UNL1 0.5132 29 C -6.9204 -0.3745 0.0795 C.1 1 UNL1 0.0044 30 C -6.5401 2.0409 -0.3650 C.2 1 UNL1 -0.2948 31 C -6.1557 -1.2931 0.3425 C.1 1 UNL1 -0.1665 32 C -7.2954 0.9122 -0.2400 C.2 1 UNL1 -0.1455 33 C -7.9562 2.1543 -0.6203 C.3 1 UNL1 0.3401 @BOND 1 1 11 1 2 11 12 3 3 2 15 2 4 12 8 1 5 15 17 1 6 15 7 1 7 33 30 1 8 33 32 1 9 17 13 3 10 8 7 1 11 8 9 1 12 30 32 2 13 30 28 1 14 7 6 1 15 4 28 2 16 32 29 1 17 28 27 1 18 13 21 1 19 27 25 3 20 6 14 3 21 29 31 3 22 25 20 1 23 31 26 1 24 14 16 1 25 20 10 1 26 20 26 1 27 21 24 1 28 16 10 2 29 16 5 1 30 10 5 1 31 9 18 1 32 9 22 2 33 5 19 2 34 18 23 3 35 24 23 1 36 24 3 2