@MOLECULE 1-pyrenesulfonyl azide 31 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.7980 0.1979 -0.6147 S.O2 1 UNL1 2.3589 2 O -3.7111 1.2945 -0.7956 O.2 1 UNL1 -0.8828 3 O -2.8365 -0.9274 -1.5091 O.2 1 UNL1 -0.8831 4 N -3.1656 -0.4772 0.9858 N.2 1 UNL1 -0.7645 5 N -4.2101 -1.0406 1.3018 N.2 1 UNL1 0.5131 6 N -5.0969 -1.5823 1.7581 N.2 1 UNL1 -0.2282 7 C 1.2117 0.5542 -0.0280 C.ar 1 UNL1 -0.0635 8 C 2.3973 -0.2514 0.0217 C.ar 1 UNL1 -0.0017 9 C -0.0535 -0.0388 -0.2896 C.ar 1 UNL1 0.1150 10 C 1.3189 1.9481 0.1871 C.ar 1 UNL1 0.0694 11 C 2.3175 -1.6457 -0.1941 C.ar 1 UNL1 -0.0377 12 C 3.6548 0.3408 0.2836 C.ar 1 UNL1 -0.0425 13 C -1.1863 0.7881 -0.3256 C.ar 1 UNL1 -0.4157 14 C -0.0940 -1.4669 -0.5056 C.ar 1 UNL1 -0.1843 15 C 1.0268 -2.2260 -0.4585 C.ar 1 UNL1 -0.1073 16 C 2.6102 2.5303 0.4548 C.ar 1 UNL1 -0.1948 17 C 0.1688 2.7443 0.1376 C.ar 1 UNL1 -0.2039 18 C 3.7255 1.7638 0.5014 C.ar 1 UNL1 -0.1088 19 C -1.0661 2.1652 -0.1125 C.ar 1 UNL1 -0.0408 20 C 3.4790 -2.4229 -0.1516 C.ar 1 UNL1 -0.1267 21 C 4.8021 -0.4587 0.3249 C.ar 1 UNL1 -0.1224 22 C 4.7117 -1.8304 0.1074 C.ar 1 UNL1 -0.1533 23 H -1.0527 -1.9505 -0.7278 H 1 UNL1 0.1980 24 H 0.9812 -3.3041 -0.6243 H 1 UNL1 0.1608 25 H 2.6560 3.6070 0.6186 H 1 UNL1 0.1650 26 H 0.2458 3.8180 0.2995 H 1 UNL1 0.1618 27 H 4.7059 2.1984 0.7038 H 1 UNL1 0.1633 28 H -1.9516 2.8183 -0.1413 H 1 UNL1 0.1817 29 H 3.4180 -3.4979 -0.3219 H 1 UNL1 0.1596 30 H 5.7711 -0.0033 0.5281 H 1 UNL1 0.1577 31 H 5.6107 -2.4451 0.1404 H 1 UNL1 0.1577 @BOND 1 3 1 2 2 2 1 2 3 23 14 1 4 24 15 1 5 1 13 1 6 1 4 1 7 14 15 ar 8 14 9 ar 9 15 11 ar 10 13 9 ar 11 13 19 ar 12 29 20 1 13 9 7 ar 14 11 20 ar 15 11 8 ar 16 20 22 ar 17 28 19 1 18 19 17 ar 19 7 8 ar 20 7 10 ar 21 8 12 ar 22 22 31 1 23 22 21 ar 24 17 10 ar 25 17 26 1 26 10 16 ar 27 12 21 ar 28 12 18 ar 29 21 30 1 30 16 18 ar 31 16 25 1 32 18 27 1 33 4 5 2 34 5 6 2