@MOLECULE n-(4-azido-2-nitrophenyl)-5-hydroxytryptamine 39 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.7685 2.2354 -2.5520 O.3 1 UNL1 -0.4704 2 O -4.2099 -2.5302 -1.4987 O.2 1 UNL1 -0.3852 3 O -2.1104 -2.8604 -1.2297 O.2 1 UNL1 -0.4909 4 N 4.8543 -0.7834 2.0089 N.ar 1 UNL1 -0.3575 5 N -0.6393 -1.1033 -0.0194 N.pl3 1 UNL1 -0.4632 6 N -3.1293 -2.1901 -1.0477 N.pl3 1 UNL1 0.6732 7 N -5.4623 1.5076 1.0622 N.2 1 UNL1 -0.4173 8 N -6.0682 2.2875 0.2996 N.2 1 UNL1 0.4266 9 N -6.7901 3.0096 -0.1999 N.2 1 UNL1 -0.2126 10 C 3.0380 -1.1402 0.6886 C.ar 1 UNL1 -0.1489 11 C 1.7518 -1.6529 0.1784 C.3 1 UNL1 -0.2629 12 C 3.8560 -0.1481 0.0519 C.ar 1 UNL1 0.0020 13 C 0.6502 -0.6180 0.4880 C.3 1 UNL1 -0.0697 14 C 4.9887 0.0605 0.9019 C.ar 1 UNL1 0.0261 15 C 3.6742 -1.5058 1.8695 C.ar 1 UNL1 -0.0209 16 C 3.7441 0.5775 -1.1408 C.ar 1 UNL1 -0.3005 17 C 6.0022 0.9802 0.5896 C.ar 1 UNL1 -0.1382 18 C -1.8054 -0.4574 0.1986 C.ar 1 UNL1 0.3402 19 C 4.7597 1.4725 -1.4250 C.ar 1 UNL1 0.2667 20 C 5.8814 1.6903 -0.5843 C.ar 1 UNL1 -0.2036 21 C -3.0446 -0.9767 -0.2930 C.ar 1 UNL1 -0.2896 22 C -1.8442 0.7776 0.9245 C.ar 1 UNL1 -0.3244 23 C -4.2492 -0.2968 -0.0393 C.ar 1 UNL1 0.0066 24 C -3.0259 1.4302 1.1530 C.ar 1 UNL1 -0.0027 25 C -4.2461 0.8934 0.6678 C.ar 1 UNL1 -0.0200 26 H 1.5014 -2.6352 0.6310 H 1 UNL1 0.1593 27 H 1.8160 -1.8371 -0.9173 H 1 UNL1 0.1653 28 H 0.5924 -0.4469 1.5883 H 1 UNL1 0.1509 29 H 0.9039 0.3593 0.0123 H 1 UNL1 0.1546 30 H 3.3687 -2.2241 2.6084 H 1 UNL1 0.1674 31 H 5.5036 -0.8594 2.7556 H 1 UNL1 0.3141 32 H -0.6431 -1.9884 -0.5362 H 1 UNL1 0.3528 33 H 2.8996 0.4263 -1.8011 H 1 UNL1 0.1678 34 H 6.8499 1.1222 1.2537 H 1 UNL1 0.1603 35 H 6.6277 2.4210 -0.8925 H 1 UNL1 0.1800 36 H -0.9148 1.1990 1.3016 H 1 UNL1 0.1758 37 H -5.1959 -0.7223 -0.4039 H 1 UNL1 0.1954 38 H -3.0509 2.3660 1.7186 H 1 UNL1 0.1671 39 H 3.9902 2.0504 -3.1304 H 1 UNL1 0.3264 @BOND 1 39 1 1 2 1 19 1 3 33 16 1 4 2 6 2 5 19 16 ar 6 19 20 ar 7 3 6 2 8 16 12 ar 9 6 21 1 10 27 11 1 11 35 20 1 12 20 17 ar 13 32 5 1 14 37 23 1 15 21 23 ar 16 21 18 ar 17 9 8 2 18 23 25 ar 19 5 18 1 20 5 13 1 21 29 13 1 22 12 10 ar 23 12 14 ar 24 11 13 1 25 11 26 1 26 11 10 1 27 18 22 ar 28 8 7 2 29 13 28 1 30 17 14 ar 31 17 34 1 32 25 7 1 33 25 24 ar 34 10 15 ar 35 14 4 ar 36 22 24 ar 37 22 36 1 38 24 38 1 39 15 4 ar 40 15 30 1 41 4 31 1