@MOLECULE ethyl 2-[(3e)-6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3h-xanthen-9-yl]benzoate 63 66 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.4062 1.9811 -0.4870 O.2 1 UNL1 -0.2715 2 O 0.6931 -1.2378 1.8074 O.3 1 UNL1 -0.3929 3 O 2.0236 -2.9866 2.2651 O.2 1 UNL1 -0.5161 4 N -5.0833 1.6600 0.1322 N.pl3 1 UNL1 -0.5321 5 N 4.3155 2.5073 -0.4323 N.2 1 UNL1 -0.4287 6 C -0.0736 -0.8303 -0.6048 C.ar 1 UNL1 0.0982 7 C -1.3724 -0.2471 -0.3919 C.ar 1 UNL1 -0.2362 8 C 1.0052 -0.0125 -0.7426 C.ar 1 UNL1 -0.1200 9 C -1.4805 1.1487 -0.3647 C.ar 1 UNL1 0.3270 10 C 0.8441 1.4213 -0.6014 C.ar 1 UNL1 0.2909 11 C 0.0381 -2.2940 -0.6915 C.ar 1 UNL1 0.0455 12 C -2.5537 -0.9883 -0.1994 C.ar 1 UNL1 -0.0275 13 C -3.7761 -0.3738 -0.0315 C.ar 1 UNL1 -0.1557 14 C -3.8621 1.0578 -0.0504 C.ar 1 UNL1 0.3121 15 C 2.3582 -0.4616 -1.0010 C.ar 1 UNL1 -0.1997 16 C -2.6926 1.8181 -0.2099 C.ar 1 UNL1 -0.4149 17 C 3.4155 0.3740 -0.9651 C.ar 1 UNL1 0.0520 18 C 1.8679 2.3008 -0.5549 C.ar 1 UNL1 -0.4053 19 C 3.2453 1.8152 -0.6372 C.ar 1 UNL1 0.2174 20 C 0.6273 -3.0519 0.3242 C.ar 1 UNL1 -0.1348 21 C -0.4574 -2.9357 -1.8316 C.ar 1 UNL1 -0.1721 22 C -4.9971 -1.2047 0.1775 C.3 1 UNL1 -0.4298 23 C 4.7975 -0.1031 -1.2366 C.3 1 UNL1 -0.4380 24 C 0.7182 -4.4414 0.2000 C.ar 1 UNL1 -0.0828 25 C -5.2579 3.1108 -0.0305 C.3 1 UNL1 -0.0438 26 C -0.3677 -4.3193 -1.9495 C.ar 1 UNL1 -0.1062 27 C 0.2184 -5.0744 -0.9335 C.ar 1 UNL1 -0.1763 28 C 1.2045 -2.4587 1.5506 C.2 1 UNL1 0.5974 29 C 4.2737 3.9166 -0.0775 C.3 1 UNL1 -0.0892 30 C -6.7464 3.4615 -0.0133 C.3 1 UNL1 -0.4688 31 C 5.7195 4.3891 0.1380 C.3 1 UNL1 -0.4350 32 C 1.2576 -0.5481 2.9395 C.3 1 UNL1 0.0049 33 C 0.5529 0.7970 2.9333 C.3 1 UNL1 -0.4646 34 H -5.9208 1.1026 0.1362 H 1 UNL1 0.3103 35 H -2.4875 -2.0798 -0.1837 H 1 UNL1 0.1618 36 H 2.4849 -1.5207 -1.2277 H 1 UNL1 0.1659 37 H -2.7026 2.9014 -0.2036 H 1 UNL1 0.1832 38 H 1.7019 3.3657 -0.4504 H 1 UNL1 0.1760 39 H -0.9097 -2.3439 -2.6279 H 1 UNL1 0.1678 40 H -4.7655 -2.2802 0.2064 H 1 UNL1 0.1603 41 H -5.7305 -1.0663 -0.6287 H 1 UNL1 0.1447 42 H -5.4860 -0.9719 1.1349 H 1 UNL1 0.1519 43 H 4.8462 -1.1649 -1.5011 H 1 UNL1 0.1471 44 H 5.4442 0.0576 -0.3561 H 1 UNL1 0.1756 45 H 5.2614 0.4747 -2.0525 H 1 UNL1 0.1677 46 H 1.1936 -5.0229 0.9954 H 1 UNL1 0.1732 47 H -4.7906 3.4543 -0.9840 H 1 UNL1 0.1419 48 H -4.7268 3.6305 0.8033 H 1 UNL1 0.1475 49 H -0.7543 -4.8142 -2.8392 H 1 UNL1 0.1481 50 H 0.2885 -6.1558 -1.0285 H 1 UNL1 0.1532 51 H 3.6798 4.0851 0.8499 H 1 UNL1 0.1317 52 H 3.7945 4.5210 -0.8812 H 1 UNL1 0.1313 53 H -7.2881 2.9950 -0.8447 H 1 UNL1 0.1524 54 H -6.8893 4.5460 -0.1024 H 1 UNL1 0.1599 55 H -7.2291 3.1493 0.9212 H 1 UNL1 0.1560 56 H 6.2058 3.8054 0.9293 H 1 UNL1 0.1532 57 H 5.7570 5.4453 0.4127 H 1 UNL1 0.1326 58 H 6.3165 4.2438 -0.7704 H 1 UNL1 0.1528 59 H 2.3491 -0.4640 2.7890 H 1 UNL1 0.1398 60 H 1.0514 -1.1429 3.8452 H 1 UNL1 0.1314 61 H 0.7750 1.3598 2.0146 H 1 UNL1 0.1661 62 H 0.8625 1.4105 3.7857 H 1 UNL1 0.1522 63 H -0.5378 0.6766 2.9753 H 1 UNL1 0.1613 @BOND 1 49 26 1 2 39 21 1 3 45 23 1 4 26 21 ar 5 26 27 ar 6 21 11 ar 7 43 23 1 8 23 17 1 9 23 44 1 10 36 15 1 11 50 27 1 12 15 17 ar 13 15 8 ar 14 47 25 1 15 17 19 ar 16 27 24 ar 17 52 29 1 18 53 30 1 19 58 31 1 20 8 6 ar 21 8 10 1 22 11 6 1 23 11 20 ar 24 19 18 ar 25 19 5 2 26 41 22 1 27 6 7 ar 28 10 18 ar 29 10 1 ar 30 18 38 1 31 1 9 ar 32 5 29 1 33 7 9 ar 34 7 12 ar 35 9 16 ar 36 16 37 1 37 16 14 ar 38 12 35 1 39 12 13 ar 40 54 30 1 41 29 31 1 42 29 51 1 43 14 13 ar 44 14 4 1 45 13 22 1 46 25 30 1 47 25 4 1 48 25 48 1 49 30 55 1 50 4 34 1 51 31 57 1 52 31 56 1 53 22 40 1 54 22 42 1 55 24 20 ar 56 24 46 1 57 20 28 1 58 28 2 1 59 28 3 2 60 2 32 1 61 61 33 1 62 59 32 1 63 33 32 1 64 33 63 1 65 33 62 1 66 32 60 1