@MOLECULE DB03423 46 48 1 SMALL USER_CHARGES @ATOM 1 Se1 6.5847 -0.3314 1.0326 Se 1 noname -0.1590 2 C1 4.6339 -0.5326 1.2190 C.3 1 noname 0.0225 3 C2 7.0101 1.5320 0.5553 C.3 1 noname -0.0046 4 C3 3.9557 -0.1779 -0.1058 C.3 1 noname 0.0977 5 C4 8.5252 1.6882 0.4105 C.3 1 noname -0.0192 6 O1 4.4215 -1.0388 -1.1163 O.3 1 noname -0.3499 7 C5 2.4471 -0.4029 0.0172 C.3 1 noname 0.1112 8 C6 8.8555 3.1355 0.0399 C.3 1 noname 0.0920 9 C7 3.3753 -0.9887 -2.0713 C.3 1 noname 0.1589 10 O2 1.7803 0.8508 0.0200 O.3 1 noname -0.3874 11 C8 2.0921 -1.1650 -1.2563 C.3 1 noname 0.1257 12 N1 10.3033 3.2848 -0.0985 N.3 1 noname -0.3194 13 C9 8.3722 4.0289 1.0886 C.2 1 noname 0.1437 14 N2 3.6261 -1.9026 -3.1421 N.3 1 noname 0.0257 15 O3 1.0186 -0.5103 -1.9161 O.3 1 noname -0.3857 16 O4 7.5296 4.9117 0.8182 O.2 1 noname -0.2496 17 O5 8.8352 3.9015 2.3503 O.3 1 noname -0.2140 18 C10 4.7349 -1.8857 -3.9156 C.2 1 noname 0.1238 19 C11 2.8655 -2.9565 -3.5675 C.2 1 noname -0.0362 20 N3 5.8173 -1.0498 -3.9387 N.2 1 noname -0.2441 21 C12 4.6144 -2.9909 -4.7707 C.2 1 noname 0.0254 22 N4 3.4674 -3.6280 -4.5639 N.2 1 noname -0.2172 23 C13 6.8426 -1.3117 -4.8157 C.2 1 noname 0.0503 24 C14 5.6714 -3.2574 -5.6621 C.2 1 noname 0.0729 25 N5 6.7382 -2.4070 -5.6389 N.2 1 noname -0.2575 26 N6 5.6312 -4.3033 -6.4989 N.3 1 noname -0.1031 27 H1 4.3626 -1.5807 1.3452 H 1 noname 0.0408 28 H2 4.2294 0.2203 1.8955 H 1 noname 0.0408 29 H3 6.6558 1.7656 -0.4487 H 1 noname 0.0381 30 H4 6.7856 2.2050 1.3828 H 1 noname 0.0381 31 H5 4.2123 0.8358 -0.4135 H 1 noname 0.0641 32 H6 8.9555 1.5097 1.3959 H 1 noname 0.0296 33 H7 8.8258 1.0703 -0.4356 H 1 noname 0.0296 34 H8 2.1238 -0.8788 0.9430 H 1 noname 0.0657 35 H9 8.3902 3.4323 -0.9001 H 1 noname 0.0571 36 H10 3.3642 -0.0595 -2.6411 H 1 noname 0.0853 37 H11 1.6308 1.1317 0.9258 H 1 noname 0.2106 38 H12 1.7305 -2.1852 -1.1275 H 1 noname 0.0674 39 H13 10.8931 2.4663 -0.1463 H 1 noname 0.1191 40 H14 10.7136 4.2064 -0.1463 H 1 noname 0.1191 41 H15 0.4177 -0.1438 -1.2633 H 1 noname 0.2107 42 H16 8.9156 2.9702 2.5692 H 1 noname 0.2213 43 H17 1.8923 -3.2297 -3.1596 H 1 noname 0.1016 44 H18 7.7191 -0.6652 -4.8574 H 1 noname 0.1062 45 H19 4.7421 -4.6639 -6.8142 H 1 noname 0.1258 46 H20 6.4901 -4.7310 -6.8142 H 1 noname 0.1258 @BOND 1 1 2 1 2 1 3 1 3 4 2 1 4 3 5 1 5 4 6 1 6 4 7 1 7 5 8 1 8 6 9 1 9 7 10 1 10 7 11 1 11 8 12 1 12 8 13 1 13 9 14 1 14 9 11 1 15 11 15 1 16 13 16 2 17 13 17 1 18 14 18 1 19 14 19 1 20 18 20 2 21 18 21 1 22 19 22 2 23 20 23 1 24 21 24 2 25 21 22 1 26 23 25 2 27 24 26 1 28 24 25 1 29 2 27 1 30 2 28 1 31 3 29 1 32 3 30 1 33 4 31 1 34 5 32 1 35 5 33 1 36 7 34 1 37 8 35 1 38 9 36 1 39 10 37 1 40 11 38 1 41 12 39 1 42 12 40 1 43 15 41 1 44 17 42 1 45 19 43 1 46 23 44 1 47 26 45 1 48 26 46 1 @SUBSTRUCTURE 1 noname 1