@MOLECULE FDBD00438 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3581 1.4556 0.6931 O.3 1 UNK -0.4886 2 O1 2.7841 2.1026 1.9563 O.3 1 UNK -0.3831 3 N 3.0013 -0.4295 -0.7358 N.4 1 UNK 0.2307 4 C 2.7506 1.6406 0.6030 C.3 1 UNK 0.1285 5 C1 2.9583 0.1243 0.6107 C.3 1 UNK -0.0035 6 C2 3.2559 -1.8633 -0.7016 C.3 1 UNK -0.0283 7 C3 1.4257 2.0654 -0.0264 C.3 1 UNK 0.1204 8 C4 3.2867 -2.4291 -2.1186 C.3 1 UNK -0.0219 9 C5 2.1840 -2.5496 0.1392 C.3 1 UNK -0.0219 10 C6 -0.7847 1.1880 -0.0057 C.ar 1 UNK 0.1283 11 C7 -1.6137 0.1069 0.3355 C.ar 1 UNK 0.0238 12 C8 -2.7871 -0.1304 -0.4193 C.ar 1 UNK -0.0144 13 C9 -1.1076 2.0229 -1.0758 C.ar 1 UNK -0.0193 14 C10 -1.3042 -0.7438 1.4092 C.ar 1 UNK -0.0505 15 C11 -3.0970 0.7205 -1.4929 C.ar 1 UNK -0.0538 16 C12 -2.2617 1.7898 -1.8178 C.ar 1 UNK -0.0577 17 C13 -3.6163 -1.2112 -0.0783 C.ar 1 UNK -0.0539 18 C14 -2.1393 -1.8132 1.7338 C.ar 1 UNK -0.0611 19 C15 -3.2932 -2.0465 0.9914 C.ar 1 UNK -0.0612 20 H 3.6220 1.8386 2.3674 H 1 UNK 0.2102 21 H1 3.7453 0.0291 -1.2617 H 1 UNK 0.2017 22 H2 2.0982 -0.2700 -1.1822 H 1 UNK 0.2017 23 H3 3.5307 2.0696 0.0095 H 1 UNK 0.0681 24 H4 3.8824 -0.0949 1.1036 H 1 UNK 0.0841 25 H5 2.1303 -0.3192 1.1232 H 1 UNK 0.0841 26 H6 4.2110 -2.0456 -0.2551 H 1 UNK 0.0845 27 H7 1.3298 3.1300 0.0219 H 1 UNK 0.0725 28 H8 1.3953 1.7581 -1.0509 H 1 UNK 0.0725 29 H9 2.3414 -2.2604 -2.5906 H 1 UNK 0.0284 30 H10 3.4829 -3.4802 -2.0788 H 1 UNK 0.0284 31 H11 4.0574 -1.9434 -2.6799 H 1 UNK 0.0284 32 H12 1.2226 -2.3750 -0.2968 H 1 UNK 0.0284 33 H13 2.2022 -2.1533 1.1330 H 1 UNK 0.0284 34 H14 2.3753 -3.6019 0.1713 H 1 UNK 0.0284 35 H15 -0.4903 2.8138 -1.3173 H 1 UNK 0.0654 36 H16 -0.4502 -0.5761 1.9638 H 1 UNK 0.0625 37 H17 -3.9513 0.5531 -2.0471 H 1 UNK 0.0624 38 H18 -2.4998 2.4083 -2.6089 H 1 UNK 0.0619 39 H19 -4.4735 -1.3894 -0.6246 H 1 UNK 0.0624 40 H20 -1.9013 -2.4317 2.5249 H 1 UNK 0.0618 41 H21 -3.9102 -2.8379 1.2323 H 1 UNK 0.0618 @BOND 1 1 7 1 2 1 10 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 5 1 7 4 7 1 8 6 8 1 9 6 9 1 10 10 11 ar 11 10 13 ar 12 11 12 ar 13 11 14 ar 14 12 15 ar 15 12 17 ar 16 13 16 ar 17 14 18 ar 18 15 16 ar 19 17 19 ar 20 18 19 ar 21 2 20 1 22 3 21 1 23 3 22 1 24 4 23 1 25 5 24 1 26 5 25 1 27 6 26 1 28 7 27 1 29 7 28 1 30 8 29 1 31 8 30 1 32 8 31 1 33 9 32 1 34 9 33 1 35 9 34 1 36 13 35 1 37 14 36 1 38 15 37 1 39 16 38 1 40 17 39 1 41 18 40 1 42 19 41 1