@MOLECULE zm-241,385 40 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -6.1200 0.9015 0.0324 O.2 1 UNL1 -0.1253 2 O 7.6176 2.5976 0.0377 O.3 1 UNL1 -0.4722 3 N 1.3719 -1.9706 0.0400 N.pl3 1 UNL1 -0.4703 4 N -2.5900 -1.2632 -0.0111 N.ar 1 UNL1 -0.3665 5 N -0.3347 -0.3654 0.0446 N.2 1 UNL1 -0.5647 6 N -0.7997 -2.7833 -0.0186 N.2 1 UNL1 -0.6543 7 N -3.8873 -0.8101 -0.0230 N.ar 1 UNL1 -0.2826 8 N -2.4202 0.9811 0.0392 N.ar 1 UNL1 -0.4467 9 N -3.0046 -3.6118 -0.0808 N.pl3 1 UNL1 -0.5624 10 C 3.7822 -1.5036 0.0185 C.3 1 UNL1 -0.3042 11 C 2.3730 -0.8918 0.0729 C.3 1 UNL1 -0.0399 12 C 4.7951 -0.4013 -0.0011 C.ar 1 UNL1 -0.0684 13 C 0.0478 -1.6757 0.0220 C.cat 1 UNL1 0.5734 14 C -1.6623 -0.1253 0.0279 C.ar 1 UNL1 0.5029 15 C 5.2262 0.1297 -1.2176 C.ar 1 UNL1 -0.0879 16 C 5.3097 0.0945 1.2027 C.ar 1 UNL1 -0.0971 17 C -2.1291 -2.5739 -0.0364 C.2 1 UNL1 0.6226 18 C -3.7581 0.5382 0.0085 C.ar 1 UNL1 0.2716 19 C -4.8480 1.4669 0.0065 C.ar 1 UNL1 0.0489 20 C 6.1780 1.1459 -1.2475 C.ar 1 UNL1 -0.3039 21 C 6.2593 1.1064 1.1996 C.ar 1 UNL1 -0.2397 22 C 6.6819 1.6158 -0.0340 C.ar 1 UNL1 0.2878 23 C -4.9316 2.8384 -0.0221 C.ar 1 UNL1 -0.1305 24 C -6.3325 3.1546 -0.0185 C.ar 1 UNL1 -0.2525 25 C -6.9992 1.9562 0.0134 C.ar 1 UNL1 -0.0042 26 H 3.9479 -2.1738 0.8872 H 1 UNL1 0.1540 27 H 3.8904 -2.1503 -0.8768 H 1 UNL1 0.1540 28 H 2.2329 -0.2790 0.9968 H 1 UNL1 0.1678 29 H 2.2019 -0.1946 -0.7842 H 1 UNL1 0.1703 30 H 1.6698 -2.9351 0.0262 H 1 UNL1 0.3330 31 H 4.8174 -0.2500 -2.1541 H 1 UNL1 0.1542 32 H 4.9624 -0.3159 2.1511 H 1 UNL1 0.1557 33 H 6.5160 1.5590 -2.1911 H 1 UNL1 0.1609 34 H 6.6759 1.5052 2.1210 H 1 UNL1 0.1763 35 H -4.1173 3.5384 -0.0430 H 1 UNL1 0.1876 36 H -3.9962 -3.4345 -0.0920 H 1 UNL1 0.3451 37 H -2.6659 -4.5560 -0.0944 H 1 UNL1 0.3358 38 H -6.7444 4.1410 -0.0375 H 1 UNL1 0.1716 39 H -8.0207 1.6536 0.0285 H 1 UNL1 0.1716 40 H 7.8781 2.9334 -0.8535 H 1 UNL1 0.3278 @BOND 1 33 20 1 2 31 15 1 3 20 15 ar 4 20 22 ar 5 15 12 ar 6 27 10 1 7 40 2 1 8 29 11 1 9 37 9 1 10 36 9 1 11 9 17 1 12 35 23 1 13 38 24 1 14 17 6 2 15 17 4 1 16 22 2 1 17 22 21 ar 18 7 4 ar 19 7 18 ar 20 23 24 ar 21 23 19 ar 22 6 13 1 23 24 25 ar 24 4 14 ar 25 12 10 1 26 12 16 ar 27 19 18 1 28 19 1 ar 29 18 8 ar 30 25 39 1 31 25 1 ar 32 10 11 1 33 10 26 1 34 13 3 1 35 13 5 2 36 30 3 1 37 14 8 ar 38 14 5 2 39 3 11 1 40 11 28 1 41 21 16 ar 42 21 34 1 43 16 32 1