@MOLECULE 10,11-dihydro-n,n-dimethyl-5h-dibenzo[a,d]cycloheptene-d5,g-propylamine n-oxide 45 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.1793 1.9074 -0.2654 O.3 1 UNL1 -0.7344 2 N -3.6183 0.9181 0.3651 N.4 1 UNL1 0.3919 3 C 0.7442 0.6600 -0.3625 C.2 1 UNL1 -0.0433 4 C 2.2193 -1.1575 1.6700 C.3 1 UNL1 -0.2742 5 C 0.6904 -1.1042 1.8044 C.3 1 UNL1 -0.2798 6 C -2.1744 1.2639 0.7128 C.3 1 UNL1 -0.2044 7 C 2.2015 0.6563 -0.1750 C.ar 1 UNL1 -0.0322 8 C 0.1308 -0.6570 -0.5761 C.ar 1 UNL1 -0.0155 9 C 2.8617 -0.1525 0.7557 C.ar 1 UNL1 0.0205 10 C 0.0557 -1.5291 0.5184 C.ar 1 UNL1 -0.0030 11 C -1.4508 1.8428 -0.5120 C.3 1 UNL1 -0.2758 12 C 0.0270 1.7938 -0.3151 C.2 1 UNL1 -0.1504 13 C 2.9425 1.5175 -0.9982 C.ar 1 UNL1 -0.1399 14 C -0.3778 -1.0377 -1.8157 C.ar 1 UNL1 -0.1464 15 C -4.3632 0.6411 1.6559 C.3 1 UNL1 -0.3844 16 C -3.6613 -0.3321 -0.4853 C.3 1 UNL1 -0.3824 17 C 4.2596 -0.0658 0.8527 C.ar 1 UNL1 -0.1885 18 C -0.5720 -2.7637 0.3752 C.ar 1 UNL1 -0.1790 19 C 4.3253 1.5874 -0.8973 C.ar 1 UNL1 -0.1636 20 C -0.9938 -2.2806 -1.9561 C.ar 1 UNL1 -0.1569 21 C 4.9867 0.7928 0.0387 C.ar 1 UNL1 -0.1328 22 C -1.1012 -3.1346 -0.8609 C.ar 1 UNL1 -0.1500 23 H 2.5102 -2.1755 1.3196 H 1 UNL1 0.1613 24 H 2.6604 -1.0557 2.6866 H 1 UNL1 0.1530 25 H 0.3734 -0.0766 2.0830 H 1 UNL1 0.1600 26 H 0.3716 -1.7505 2.6461 H 1 UNL1 0.1456 27 H -2.1845 2.0248 1.5211 H 1 UNL1 0.1574 28 H -1.6632 0.3602 1.0964 H 1 UNL1 0.1444 29 H -1.8172 2.8782 -0.6931 H 1 UNL1 0.1800 30 H -1.7443 1.2974 -1.4350 H 1 UNL1 0.1663 31 H 0.5042 2.7545 -0.1204 H 1 UNL1 0.1581 32 H -3.9107 -0.1818 2.2164 H 1 UNL1 0.1420 33 H -4.3825 1.5558 2.2697 H 1 UNL1 0.1707 34 H -5.4142 0.4048 1.4253 H 1 UNL1 0.1711 35 H -3.1346 -1.1683 -0.0119 H 1 UNL1 0.1505 36 H -4.7081 -0.6061 -0.6848 H 1 UNL1 0.1677 37 H -3.2023 -0.1262 -1.4667 H 1 UNL1 0.1748 38 H 2.4211 2.1331 -1.7318 H 1 UNL1 0.1576 39 H -0.2886 -0.3669 -2.6690 H 1 UNL1 0.1618 40 H 4.7856 -0.6861 1.5767 H 1 UNL1 0.1505 41 H -0.6412 -3.4434 1.2208 H 1 UNL1 0.1505 42 H 4.8895 2.2554 -1.5436 H 1 UNL1 0.1512 43 H -1.3877 -2.5843 -2.9242 H 1 UNL1 0.1535 44 H 6.0698 0.8431 0.1280 H 1 UNL1 0.1480 45 H -1.5893 -4.1006 -0.9712 H 1 UNL1 0.1486 @BOND 1 43 20 1 2 39 14 1 3 20 14 ar 4 20 22 ar 5 14 8 ar 6 38 13 1 7 42 19 1 8 37 16 1 9 30 11 1 10 13 19 ar 11 13 7 ar 12 45 22 1 13 19 21 ar 14 22 18 ar 15 29 11 1 16 36 16 1 17 8 3 1 18 8 10 ar 19 11 12 1 20 11 6 1 21 16 35 1 22 16 2 1 23 3 12 2 24 3 7 1 25 12 31 1 26 1 2 1 27 7 9 ar 28 21 44 1 29 21 17 ar 30 2 6 1 31 2 15 1 32 18 10 ar 33 18 41 1 34 10 5 1 35 6 28 1 36 6 27 1 37 9 17 ar 38 9 4 1 39 17 40 1 40 23 4 1 41 34 15 1 42 15 32 1 43 15 33 1 44 4 5 1 45 4 24 1 46 5 25 1 47 5 26 1