@MOLECULE 7-(benzyloxy)-3h-phenoxazin-3-one 36 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.0303 -0.9936 -0.0104 O.3 1 UNL1 -0.2227 2 O 2.4434 0.1489 -0.0146 O.3 1 UNL1 -0.2907 3 O -6.5370 -2.1901 0.0208 O.2 1 UNL1 -0.4243 4 N -2.8393 1.7446 -0.0058 N.pl3 1 UNL1 -0.2521 5 C -1.1111 0.0183 -0.0113 C.ar 1 UNL1 0.2471 6 C -1.4968 1.3778 -0.0082 C.ar 1 UNL1 -0.1018 7 C -3.3577 -0.6382 -0.0022 C.2 1 UNL1 0.1986 8 C -3.7205 0.7893 -0.0029 C.2 1 UNL1 0.0692 9 C 1.1876 0.6352 -0.0116 C.ar 1 UNL1 0.3240 10 C 0.2177 -0.3787 -0.0148 C.ar 1 UNL1 -0.3388 11 C -0.4950 2.3645 -0.0070 C.ar 1 UNL1 0.0156 12 C 0.8403 1.9990 -0.0080 C.ar 1 UNL1 -0.3506 13 C 3.5289 1.0928 0.0160 C.3 1 UNL1 -0.0599 14 C 4.7375 0.2070 0.0104 C.ar 1 UNL1 -0.0465 15 C -4.2524 -1.6411 0.0060 C.3 1 UNL1 -0.3706 16 C -5.1532 1.0916 0.0015 C.2 1 UNL1 -0.0919 17 C -5.6892 -1.3276 0.0131 C.2 1 UNL1 0.4731 18 C -6.0655 0.1106 0.0096 C.2 1 UNL1 -0.2478 19 C 5.3112 -0.1954 1.2171 C.ar 1 UNL1 -0.1323 20 C 5.2710 -0.2322 -1.2020 C.ar 1 UNL1 -0.1308 21 C 6.4306 -1.0247 1.2091 C.ar 1 UNL1 -0.1527 22 C 6.3901 -1.0619 -1.2060 C.ar 1 UNL1 -0.1529 23 C 6.9708 -1.4561 -0.0015 C.ar 1 UNL1 -0.1309 24 H 0.5040 -1.4290 -0.0184 H 1 UNL1 0.2061 25 H -0.7929 3.4170 -0.0052 H 1 UNL1 0.1739 26 H 1.6059 2.7681 -0.0075 H 1 UNL1 0.1734 27 H 3.4715 1.7427 -0.8768 H 1 UNL1 0.1409 28 H 3.4502 1.7070 0.9321 H 1 UNL1 0.1410 29 H -3.9768 -2.6934 0.0074 H 1 UNL1 0.2030 30 H -5.4198 2.1519 -0.0015 H 1 UNL1 0.1793 31 H -7.1387 0.3032 0.0140 H 1 UNL1 0.1819 32 H 4.8820 0.1302 2.1635 H 1 UNL1 0.1551 33 H 4.8098 0.0645 -2.1429 H 1 UNL1 0.1557 34 H 6.8805 -1.3391 2.1491 H 1 UNL1 0.1536 35 H 6.8091 -1.4053 -2.1502 H 1 UNL1 0.1538 36 H 7.8452 -2.1048 -0.0060 H 1 UNL1 0.1523 @BOND 1 35 22 1 2 33 20 1 3 22 20 ar 4 22 23 ar 5 20 14 ar 6 27 13 1 7 24 10 1 8 10 9 ar 9 10 5 ar 10 2 9 1 11 2 13 1 12 9 12 ar 13 5 1 1 14 5 6 ar 15 1 7 1 16 6 11 ar 17 6 4 1 18 12 26 1 19 12 11 ar 20 11 25 1 21 36 23 1 22 4 8 1 23 8 7 2 24 8 16 1 25 7 15 1 26 23 21 ar 27 30 16 1 28 16 18 2 29 15 29 1 30 15 17 1 31 18 17 1 32 18 31 1 33 14 13 1 34 14 19 ar 35 17 3 2 36 13 28 1 37 21 19 ar 38 21 34 1 39 19 32 1