@MOLECULE FDBD01850 43 46 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5281 0.0104 C.3 1 UNK -0.0431 2 C1 1.4255 2.0262 -0.0007 C.3 1 UNK -0.0334 3 C2 2.1518 1.6088 1.2715 C.3 1 UNK 0.0339 4 C3 3.6598 1.7299 1.0549 C.3 1 UNK 0.0211 5 C4 4.0073 3.1573 0.6311 C.3 1 UNK -0.0386 6 C5 5.5254 3.3018 0.5339 C.3 1 UNK -0.0120 7 C6 6.1782 3.0105 1.8817 C.3 1 UNK -0.0316 8 N 5.2446 2.4105 2.8224 N.4 1 UNK 0.2379 9 C7 4.5329 3.3718 3.6491 C.3 1 UNK -0.0316 10 C8 3.8466 2.6486 4.8124 C.3 1 UNK -0.0120 11 C9 2.8677 1.6184 4.2444 C.3 1 UNK -0.0388 12 C10 3.6144 0.6360 3.3491 C.3 1 UNK 0.0183 13 C11 2.6421 -0.3750 2.7480 C.3 1 UNK 0.0229 14 N1 1.8350 0.2490 1.6844 N.am 1 UNK -0.2975 15 C12 0.8475 -0.4845 1.1464 C.2 1 UNK 0.2158 16 O 0.6386 -1.5903 1.6014 O.2 1 UNK -0.2756 17 C13 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0242 18 C14 4.4502 1.3220 2.2843 C.3 1 UNK -0.0119 19 H -0.5158 1.8786 0.8907 H 1 UNK 0.0270 20 H1 -0.5423 1.8949 -0.8476 H 1 UNK 0.0270 21 H2 1.4277 3.0938 -0.0716 H 1 UNK 0.0283 22 H3 1.9301 1.5959 -0.8404 H 1 UNK 0.0283 23 H4 1.8227 2.2625 2.0520 H 1 UNK 0.0505 24 H5 3.9359 1.0524 0.2741 H 1 UNK 0.0374 25 H6 3.6286 3.8472 1.3560 H 1 UNK 0.0272 26 H7 3.5665 3.3649 -0.3215 H 1 UNK 0.0272 27 H8 5.7654 4.3008 0.2352 H 1 UNK 0.0317 28 H9 5.8938 2.6022 -0.1870 H 1 UNK 0.0317 29 H10 6.5423 3.9281 2.2944 H 1 UNK 0.0814 30 H11 6.9752 2.3154 1.7190 H 1 UNK 0.0814 31 H12 5.8375 1.9253 3.4958 H 1 UNK 0.2036 32 H13 3.7952 3.8720 3.0571 H 1 UNK 0.0814 33 H14 5.2281 4.0861 4.0382 H 1 UNK 0.0814 34 H15 3.3149 3.3570 5.4127 H 1 UNK 0.0317 35 H16 4.5794 2.1580 5.4184 H 1 UNK 0.0317 36 H17 2.1162 2.1205 3.6717 H 1 UNK 0.0272 37 H18 2.4096 1.0842 5.0504 H 1 UNK 0.0272 38 H19 4.3131 0.1098 3.9655 H 1 UNK 0.0371 39 H20 1.9914 -0.7367 3.5166 H 1 UNK 0.0469 40 H21 3.2024 -1.1830 2.3261 H 1 UNK 0.0469 41 H22 0.4155 -0.3528 -0.9213 H 1 UNK 0.0358 42 H23 -0.9941 -0.3811 0.1035 H 1 UNK 0.0358 43 H24 5.1380 0.5781 1.9401 H 1 UNK 0.0858 @BOND 1 1 17 1 2 1 2 1 3 2 3 1 4 3 14 1 5 3 4 1 6 4 18 1 7 4 5 1 8 5 6 1 9 6 7 1 10 7 8 1 11 8 18 1 12 8 9 1 13 9 10 1 14 10 11 1 15 11 12 1 16 12 13 1 17 12 18 1 18 13 14 1 19 14 15 am 20 15 16 2 21 15 17 1 22 1 19 1 23 1 20 1 24 2 21 1 25 2 22 1 26 3 23 1 27 4 24 1 28 5 25 1 29 5 26 1 30 6 27 1 31 6 28 1 32 7 29 1 33 7 30 1 34 8 31 1 35 9 32 1 36 9 33 1 37 10 34 1 38 10 35 1 39 11 36 1 40 11 37 1 41 12 38 1 42 13 39 1 43 13 40 1 44 17 41 1 45 17 42 1 46 18 43 1