@MOLECULE 10-(2-aminoethyl)-5h-benzo[a]phenoxazin-5-one 36 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.0462 2.0635 -0.0245 O.3 1 UNL1 -0.2226 2 O -4.5863 1.9492 -0.3416 O.2 1 UNL1 -0.4262 3 N 0.0714 -0.7752 0.2402 N.pl3 1 UNL1 -0.2997 4 N 6.8638 -1.5366 -0.6794 N.3 1 UNL1 -0.6520 5 C -1.0495 -0.1350 0.0929 C.2 1 UNL1 0.1190 6 C -2.3302 -0.8532 0.0525 C.ar 1 UNL1 -0.0066 7 C 1.2516 -0.0255 0.2638 C.ar 1 UNL1 0.0113 8 C -1.1142 1.3333 -0.0441 C.2 1 UNL1 0.1939 9 C 3.6551 0.0940 0.4319 C.ar 1 UNL1 -0.0325 10 C 1.2200 1.3724 0.1295 C.ar 1 UNL1 0.1525 11 C -3.5282 -0.1391 -0.1019 C.ar 1 UNL1 -0.1374 12 C 4.9820 -0.5801 0.5693 C.3 1 UNL1 -0.2914 13 C 2.4903 -0.6652 0.4189 C.ar 1 UNL1 -0.1050 14 C 3.5958 1.4911 0.2964 C.ar 1 UNL1 -0.1056 15 C 2.3812 2.1454 0.1446 C.ar 1 UNL1 -0.2060 16 C -2.2505 2.0350 -0.1909 C.3 1 UNL1 -0.3682 17 C -3.5448 1.3448 -0.2228 C.2 1 UNL1 0.4774 18 C -2.3640 -2.2452 0.1648 C.ar 1 UNL1 -0.1170 19 C 5.4951 -0.9967 -0.8264 C.3 1 UNL1 -0.0884 20 C -4.7428 -0.8207 -0.1447 C.ar 1 UNL1 -0.0893 21 C -3.5829 -2.9200 0.1226 C.ar 1 UNL1 -0.1308 22 C -4.7713 -2.2104 -0.0322 C.ar 1 UNL1 -0.1483 23 H 5.7334 0.0833 1.0496 H 1 UNL1 0.1711 24 H 4.9205 -1.4632 1.2351 H 1 UNL1 0.1523 25 H 2.5172 -1.7510 0.5254 H 1 UNL1 0.1780 26 H 4.5218 2.0692 0.3093 H 1 UNL1 0.1662 27 H 2.3234 3.2275 0.0397 H 1 UNL1 0.1812 28 H -2.2728 3.1197 -0.2895 H 1 UNL1 0.2060 29 H -1.4302 -2.8012 0.2856 H 1 UNL1 0.1792 30 H 5.5417 -0.1052 -1.4908 H 1 UNL1 0.1441 31 H 4.7881 -1.7147 -1.2933 H 1 UNL1 0.1137 32 H -5.6718 -0.2551 -0.2673 H 1 UNL1 0.1775 33 H -3.6026 -4.0055 0.2109 H 1 UNL1 0.1527 34 H -5.7232 -2.7381 -0.0653 H 1 UNL1 0.1542 35 H 7.3092 -1.6822 -1.5693 H 1 UNL1 0.2500 36 H 6.8773 -2.3987 -0.1618 H 1 UNL1 0.2469 @BOND 1 35 4 1 2 30 19 1 3 31 19 1 4 19 4 1 5 19 12 1 6 4 36 1 7 2 17 2 8 28 16 1 9 32 20 1 10 17 16 1 11 17 11 1 12 16 8 1 13 20 11 ar 14 20 22 ar 15 11 6 ar 16 34 22 1 17 8 1 1 18 8 5 2 19 22 21 ar 20 1 10 1 21 27 15 1 22 6 5 1 23 6 18 ar 24 5 3 1 25 21 18 ar 26 21 33 1 27 10 15 ar 28 10 7 ar 29 15 14 ar 30 18 29 1 31 3 7 1 32 7 13 ar 33 14 26 1 34 14 9 ar 35 13 9 ar 36 13 25 1 37 9 12 1 38 12 23 1 39 12 24 1