@MOLECULE baeta 43 42 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0026 0.0761 0.8452 O.3 1 UNL1111111111 -0.4498 2 O 5.5234 -2.8775 0.6847 O.3 1 UNL1111111111 -0.5933 3 O 5.2944 2.6715 -1.2460 O.3 1 UNL1111111111 -0.5674 4 O -5.3228 3.0214 0.4468 O.3 1 UNL1111111111 -0.5840 5 O -5.0218 -2.5780 -1.4431 O.3 1 UNL1111111111 -0.5489 6 O 5.1713 -1.6159 -1.1175 O.2 1 UNL1111111111 -0.4526 7 O 3.0875 2.6100 -0.9408 O.2 1 UNL1111111111 -0.4945 8 O -5.7214 1.2690 -0.8750 O.2 1 UNL1111111111 -0.4684 9 O -2.9355 -2.7678 -0.6850 O.2 1 UNL1111111111 -0.5075 10 N 3.5488 0.1296 0.4342 N.3 1 UNL1111111111 -0.4017 11 N -3.5721 -0.1094 0.4285 N.3 1 UNL1111111111 -0.3988 12 C 2.2762 0.5690 1.0491 C.3 1 UNL1111111111 -0.1336 13 C -2.2662 -0.4431 1.0446 C.3 1 UNL1111111111 -0.1434 14 C 1.1697 0.1892 0.0410 C.3 1 UNL1111111111 -0.0226 15 C -1.1882 0.0815 0.0712 C.3 1 UNL1111111111 -0.0216 16 C 4.0486 -1.1183 1.0336 C.3 1 UNL1111111111 -0.1813 17 C 4.5780 1.1831 0.4070 C.3 1 UNL1111111111 -0.1836 18 C -4.1678 1.0918 1.0393 C.3 1 UNL1111111111 -0.1836 19 C -4.5156 -1.2427 0.4173 C.3 1 UNL1111111111 -0.1906 20 C 4.9338 -1.8285 0.0343 C.2 1 UNL1111111111 0.6267 21 C 4.1728 2.1915 -0.6469 C.2 1 UNL1111111111 0.6513 22 C -5.1336 1.7258 0.0627 C.2 1 UNL1111111111 0.6341 23 C -4.0153 -2.2471 -0.5975 C.2 1 UNL1111111111 0.6503 24 H 2.2572 1.6659 1.2218 H 1 UNL1111111111 0.1533 25 H 2.0706 0.1005 2.0344 H 1 UNL1111111111 0.1398 26 H -2.1374 -1.5411 1.1714 H 1 UNL1111111111 0.1655 27 H -2.1195 -0.0019 2.0515 H 1 UNL1111111111 0.1369 28 H 1.3636 -0.7837 -0.4468 H 1 UNL1111111111 0.1361 29 H 1.0485 0.9717 -0.7315 H 1 UNL1111111111 0.1412 30 H -1.3893 1.1153 -0.2599 H 1 UNL1111111111 0.1283 31 H -1.0954 -0.5794 -0.8093 H 1 UNL1111111111 0.1389 32 H 3.1809 -1.7932 1.2579 H 1 UNL1111111111 0.1915 33 H 4.5937 -0.9829 1.9961 H 1 UNL1111111111 0.1593 34 H 5.5655 0.7359 0.1206 H 1 UNL1111111111 0.1913 35 H 4.7320 1.7094 1.3748 H 1 UNL1111111111 0.1516 36 H -3.3543 1.8305 1.2679 H 1 UNL1111111111 0.1927 37 H -4.6964 0.9059 2.0034 H 1 UNL1111111111 0.1559 38 H -5.5298 -0.8763 0.1002 H 1 UNL1111111111 0.2023 39 H -4.6414 -1.7470 1.4018 H 1 UNL1111111111 0.1495 40 H 6.1033 -3.4289 0.1126 H 1 UNL1111111111 0.3587 41 H 5.1140 3.3234 -1.9662 H 1 UNL1111111111 0.3579 42 H -5.9392 3.5263 -0.1326 H 1 UNL1111111111 0.3590 43 H -4.7523 -3.2120 -2.1536 H 1 UNL1111111111 0.3549 @BOND 1 1 14 1 2 1 15 1 3 2 20 1 4 2 40 1 5 3 21 1 6 3 41 1 7 4 22 1 8 4 42 1 9 5 23 1 10 5 43 1 11 6 20 2 12 7 21 2 13 8 22 2 14 9 23 2 15 10 12 1 16 10 16 1 17 10 17 1 18 11 13 1 19 11 18 1 20 11 19 1 21 12 14 1 22 12 24 1 23 12 25 1 24 13 15 1 25 13 26 1 26 13 27 1 27 14 28 1 28 14 29 1 29 15 30 1 30 15 31 1 31 16 20 1 32 16 32 1 33 16 33 1 34 17 21 1 35 17 34 1 36 17 35 1 37 18 22 1 38 18 36 1 39 18 37 1 40 19 23 1 41 19 38 1 42 19 39 1