@MOLECULE 3-[2-(~131~i)iodo-10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl]-n-methyl-1-propanamine 42 44 0 0 0 SMALL USER_CHARGES @ATOM 1 I 4.1858 -0.0160 0.0423 I 1 UNL1111 -0.0375 2 N -2.1143 0.1500 0.4053 N.pl3 1 UNL1111 -0.4585 3 N -3.1548 -4.4638 -0.8989 N.3 1 UNL1111 -0.5192 4 C -0.6197 2.1506 -1.3893 C.3 1 UNL1111 -0.2568 5 C -2.0348 1.8254 -1.8888 C.3 1 UNL1111 -0.2672 6 C -0.7205 0.1921 0.3116 C.ar 1 UNL1111 0.2544 7 C -2.9343 1.3067 0.3767 C.ar 1 UNL1111 0.1857 8 C -2.7845 -1.0922 0.8312 C.3 1 UNL1111 -0.0575 9 C -0.0114 1.0892 -0.5235 C.ar 1 UNL1111 -0.0877 10 C -2.9800 2.1122 -0.7730 C.ar 1 UNL1111 -0.0382 11 C -2.5685 -2.1851 -0.2314 C.3 1 UNL1111 -0.3116 12 C 0.0195 -0.7519 1.0623 C.ar 1 UNL1111 -0.2658 13 C -3.7493 1.6098 1.4779 C.ar 1 UNL1111 -0.2183 14 C 1.3834 1.0142 -0.5744 C.ar 1 UNL1111 -0.1250 15 C -3.8609 3.1903 -0.8212 C.ar 1 UNL1111 -0.1466 16 C -3.2411 -3.4919 0.2163 C.3 1 UNL1111 -0.1093 17 C 1.4023 -0.8231 0.9902 C.ar 1 UNL1111 -0.1002 18 C -4.6207 2.6918 1.4139 C.ar 1 UNL1111 -0.1282 19 C 2.0791 0.0687 0.1674 C.ar 1 UNL1111 -0.1190 20 C -4.6850 3.4768 0.2643 C.ar 1 UNL1111 -0.1689 21 C -3.8010 -5.7445 -0.5519 C.3 1 UNL1111 -0.2772 22 H -0.6358 3.1115 -0.8257 H 1 UNL1111 0.1598 23 H 0.0308 2.3415 -2.2707 H 1 UNL1111 0.1519 24 H -2.0998 0.7611 -2.2030 H 1 UNL1111 0.1689 25 H -2.2696 2.4167 -2.7944 H 1 UNL1111 0.1471 26 H -2.4217 -1.4243 1.8296 H 1 UNL1111 0.1329 27 H -3.8778 -0.9007 0.9404 H 1 UNL1111 0.1500 28 H -1.4901 -2.3414 -0.4206 H 1 UNL1111 0.1551 29 H -2.9893 -1.8580 -1.2048 H 1 UNL1111 0.1711 30 H -0.4948 -1.4371 1.7339 H 1 UNL1111 0.1661 31 H -3.6904 1.0107 2.3834 H 1 UNL1111 0.1609 32 H 1.9190 1.7153 -1.2198 H 1 UNL1111 0.1639 33 H -4.3191 -3.3142 0.4301 H 1 UNL1111 0.1405 34 H -2.7798 -3.8653 1.1548 H 1 UNL1111 0.1081 35 H -3.9051 3.8124 -1.7138 H 1 UNL1111 0.1538 36 H 1.9280 -1.5707 1.5856 H 1 UNL1111 0.1623 37 H -5.2532 2.9272 2.2682 H 1 UNL1111 0.1508 38 H -5.3738 4.3169 0.2165 H 1 UNL1111 0.1515 39 H -2.1841 -4.6157 -1.1699 H 1 UNL1111 0.2517 40 H -3.7474 -6.4135 -1.4275 H 1 UNL1111 0.1457 41 H -4.8698 -5.5708 -0.3426 H 1 UNL1111 0.1461 42 H -3.3578 -6.2630 0.3109 H 1 UNL1111 0.1141 @BOND 1 25 5 1 2 23 4 1 3 24 5 1 4 5 4 1 5 5 10 1 6 35 15 1 7 40 21 1 8 4 22 1 9 4 9 1 10 29 11 1 11 39 3 1 12 32 14 1 13 3 21 1 14 3 16 1 15 15 10 ar 16 15 20 ar 17 10 7 ar 18 21 41 1 19 21 42 1 20 14 9 ar 21 14 19 ar 22 9 6 ar 23 28 11 1 24 11 16 1 25 11 8 1 26 16 33 1 27 16 34 1 28 1 19 1 29 38 20 1 30 20 18 ar 31 19 17 ar 32 6 2 1 33 6 12 ar 34 7 2 1 35 7 13 ar 36 2 8 1 37 8 27 1 38 8 26 1 39 17 12 ar 40 17 36 1 41 12 30 1 42 18 13 ar 43 18 37 1 44 13 31 1