@MOLECULE 2-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-n-(6,7,8,9-tetrahydrodibenzo[b,d]furan-3-yl)acetamide 50 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.3008 -1.1951 -1.5577 O.2 1 UNL1 -0.4787 2 C 0.7615 -1.1180 -0.4450 C.2 1 UNL1 0.6135 3 C 2.1755 -1.5749 -0.0923 C.3 1 UNL1 -0.3539 4 C 3.1810 -0.4666 -0.0637 C.ar 1 UNL1 0.0341 5 N 2.7334 0.7634 -0.1886 N.ar 1 UNL1 -0.1500 6 N 3.5950 1.7895 -0.2011 N.ar 1 UNL1 -0.2720 7 C 2.9840 3.1021 -0.4612 C.3 1 UNL1 -0.2056 8 C 4.5949 -0.7806 0.0812 C.ar 1 UNL1 0.0066 9 C 5.4981 0.2923 0.0258 C.ar 1 UNL1 -0.1535 10 C 6.8769 0.0769 0.1456 C.ar 1 UNL1 -0.0731 11 C 7.3539 -1.2101 0.3355 C.ar 1 UNL1 -0.1653 12 C 6.4564 -2.2854 0.4023 C.ar 1 UNL1 -0.0980 13 C 5.0916 -2.0787 0.2755 C.ar 1 UNL1 -0.1697 14 C 5.0013 1.6585 -0.1644 C.ar 1 UNL1 0.5276 15 O 5.6804 2.6596 -0.2543 O.2 1 UNL1 -0.4851 16 N -0.0081 -0.7274 0.6487 N.am 1 UNL1 -0.5941 17 C -1.3654 -0.3200 0.4908 C.ar 1 UNL1 0.2294 18 C -2.3249 -1.2714 0.1261 C.ar 1 UNL1 -0.2243 19 C -3.6308 -0.8109 0.0835 C.ar 1 UNL1 0.1518 20 C -4.0049 0.5348 0.3510 C.ar 1 UNL1 -0.1039 21 C -3.0198 1.4560 0.6855 C.ar 1 UNL1 -0.0895 22 C -1.7023 1.0220 0.7629 C.ar 1 UNL1 -0.2415 23 O -4.7399 -1.5825 -0.2129 O.2 1 UNL1 -0.2143 24 C -5.8192 -0.7074 -0.1323 C.ar 1 UNL1 0.1394 25 C -5.4380 0.5657 0.1866 C.ar 1 UNL1 -0.1254 26 C -7.1687 -1.2188 -0.4036 C.3 1 UNL1 -0.2792 27 C -8.1780 -0.1461 0.0651 C.3 1 UNL1 -0.2531 28 C -7.7390 1.2677 -0.3543 C.3 1 UNL1 -0.2636 29 C -6.4047 1.6755 0.3086 C.3 1 UNL1 -0.2416 30 H 2.1796 -2.1255 0.8741 H 1 UNL1 0.1779 31 H 2.4786 -2.3207 -0.8697 H 1 UNL1 0.1966 32 H 3.0495 3.3477 -1.5383 H 1 UNL1 0.1578 33 H 1.9217 3.1152 -0.1609 H 1 UNL1 0.1660 34 H 3.5340 3.8761 0.1081 H 1 UNL1 0.1683 35 H 7.5593 0.9310 0.0859 H 1 UNL1 0.1808 36 H 8.4235 -1.3912 0.4326 H 1 UNL1 0.1621 37 H 6.8416 -3.2935 0.5595 H 1 UNL1 0.1537 38 H 4.4075 -2.9236 0.3280 H 1 UNL1 0.1611 39 H 0.4476 -0.4436 1.5079 H 1 UNL1 0.3169 40 H -2.0606 -2.2979 -0.1125 H 1 UNL1 0.1882 41 H -3.2794 2.4940 0.8847 H 1 UNL1 0.1559 42 H -0.9110 1.7258 1.0094 H 1 UNL1 0.1644 43 H -7.2994 -1.4289 -1.4873 H 1 UNL1 0.1654 44 H -7.3540 -2.1818 0.1120 H 1 UNL1 0.1619 45 H -9.1780 -0.3693 -0.3463 H 1 UNL1 0.1365 46 H -8.2805 -0.1898 1.1649 H 1 UNL1 0.1436 47 H -7.6304 1.3098 -1.4538 H 1 UNL1 0.1445 48 H -8.5243 1.9990 -0.0943 H 1 UNL1 0.1340 49 H -6.5685 1.9283 1.3765 H 1 UNL1 0.1486 50 H -6.0132 2.5988 -0.1633 H 1 UNL1 0.1489 @BOND 1 1 2 2 2 32 7 1 3 43 26 1 4 47 28 1 5 31 3 1 6 7 6 1 7 7 33 1 8 7 34 1 9 2 3 1 10 2 16 am 11 26 24 1 12 26 27 1 13 26 44 1 14 28 48 1 15 28 27 1 16 28 29 1 17 45 27 1 18 15 14 2 19 23 24 ar 20 23 19 ar 21 6 5 ar 22 6 14 ar 23 5 4 ar 24 14 9 ar 25 50 29 1 26 24 25 ar 27 40 18 1 28 3 4 1 29 3 30 1 30 4 8 ar 31 9 8 ar 32 9 10 ar 33 27 46 1 34 8 13 ar 35 19 18 ar 36 19 20 ar 37 35 10 1 38 18 17 ar 39 10 11 ar 40 25 29 1 41 25 20 ar 42 13 38 1 43 13 12 ar 44 29 49 1 45 11 12 ar 46 11 36 1 47 20 21 ar 48 12 37 1 49 17 16 1 50 17 22 ar 51 16 39 1 52 21 22 ar 53 21 41 1 54 22 42 1