@MOLECULE (3s,5z,7e,14xi)-25-hydroxy-9,10-secocholesta-5,7,10-trien-3-yl n-(4-azido-2-nitrophenyl)glycinate 47 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 11.9350 -5.9701 0.1271 O.2 1 UNL1 -0.3549 2 O -4.2625 2.4372 0.3557 O.3 1 UNL1 -0.2827 3 O -3.2451 0.5557 -0.4602 O.2 1 UNL1 -0.2775 4 O -7.0916 -3.8520 -0.7745 O.2 1 UNL1 -0.2881 5 O -5.8266 -2.1864 -0.2791 O.2 1 UNL1 -0.5357 6 N -6.6143 0.1422 0.0900 N.pl3 1 UNL1 0.2208 7 N -6.9401 -2.7090 -0.4103 N.pl3 1 UNL1 0.6315 8 N -11.7649 -2.0755 0.2606 N.2 1 UNL1 -0.3814 9 N -11.9997 -3.2927 0.0045 N.2 1 UNL1 0.4646 10 N -12.4571 -4.3081 -0.1771 N.2 1 UNL1 -0.1057 11 C 6.8525 -0.5320 -0.6784 C.2 1 UNL1 -0.5084 12 C 7.5224 0.7891 -0.6861 C.2 1 UNL1 0.1433 13 C 4.3901 2.6980 -0.1952 C.2 1 UNL1 -0.0167 14 C 6.7548 1.8568 -0.5272 C.2 1 UNL1 -0.1014 15 C 5.6153 2.4753 -0.3518 C.1 1 UNL1 -0.0681 16 C 5.4691 -0.4738 -0.5107 C.1 1 UNL1 0.0721 17 C 8.9672 0.8623 -0.8904 C.2 1 UNL1 -0.5158 18 C 3.1051 2.1060 -0.0921 C.2 1 UNL1 -0.0338 19 C 7.5320 -1.6809 -0.8146 C.3 1 UNL1 0.5802 20 C 4.3134 -0.0656 -0.3501 C.1 1 UNL1 -0.1444 21 C 3.2777 0.7695 -0.1874 C.2 1 UNL1 0.0871 22 C 9.8090 -0.0864 -0.3269 C.1 1 UNL1 0.0158 23 C 9.4903 1.8835 -1.5893 C.2 1 UNL1 0.5717 24 C 1.8921 2.8500 0.0703 C.2 1 UNL1 -0.0470 25 C 10.5851 -0.9039 0.1734 C.1 1 UNL1 -0.1514 26 C 11.4139 -1.7731 0.7307 C.1 1 UNL1 0.1587 27 C 0.6630 2.2728 0.0523 C.2 1 UNL1 -0.1733 28 C 12.1933 -2.6136 1.2570 C.1 1 UNL1 -0.5323 29 C -0.5403 3.0369 0.2146 C.ar 1 UNL1 0.0696 30 C -1.8130 2.5041 0.2052 C.ar 1 UNL1 -0.0155 31 C 12.9920 -3.4947 1.8107 C.3 1 UNL1 0.3316 32 C 12.4519 -5.1061 0.6532 C.2 1 UNL1 0.4464 33 C -0.6267 4.4191 0.4128 C.ar 1 UNL1 -0.2799 34 C -3.0565 3.0898 0.3526 C.ar 1 UNL1 0.1108 35 C -1.8533 5.1325 0.5760 C.ar 1 UNL1 -0.3183 36 C -3.0147 4.4591 0.5420 C.ar 1 UNL1 0.0717 37 C -0.5930 5.8492 0.6149 C.3 1 UNL1 0.3838 38 C -4.2178 1.1271 -0.0736 C.2 1 UNL1 0.5924 39 C -5.5592 0.6005 0.0242 C.3 1 UNL1 0.0539 40 C -7.8170 -0.4331 0.1494 C.ar 1 UNL1 -0.1640 41 C -8.0743 -1.8570 -0.1158 C.ar 1 UNL1 0.0022 42 C -8.9733 0.2641 0.4723 C.ar 1 UNL1 0.1381 43 C -9.3221 -2.3287 -0.0586 C.ar 1 UNL1 -0.3941 44 C -10.2107 -0.2570 0.5296 C.ar 1 UNL1 -0.0955 45 C -10.4758 -1.5831 0.2416 C.ar 1 UNL1 0.2791 46 H 2.0060 3.9317 0.2053 H 1 UNL1 0.1740 47 H 0.5440 1.1926 -0.0886 H 1 UNL1 0.1867 @BOND 1 23 17 2 2 17 12 1 3 17 22 1 4 19 11 1 5 4 7 2 6 12 11 2 7 12 14 1 8 11 16 1 9 14 15 2 10 16 20 3 11 3 38 2 12 7 5 2 13 7 41 1 14 15 13 2 15 20 21 1 16 22 25 3 17 13 18 1 18 21 18 2 19 10 9 2 20 41 43 ar 21 41 40 ar 22 18 24 1 23 47 27 1 24 38 39 1 25 38 2 1 26 43 45 ar 27 9 8 2 28 39 6 1 29 27 24 2 30 27 29 1 31 24 46 1 32 6 40 1 33 1 32 2 34 40 42 ar 35 25 26 1 36 30 29 ar 37 30 34 ar 38 29 33 ar 39 45 8 1 40 45 44 ar 41 34 2 1 42 34 36 ar 43 33 35 ar 44 33 37 1 45 42 44 ar 46 36 35 ar 47 35 37 1 48 26 28 3 49 28 31 1