@MOLECULE FDBD00090 50 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.9797 -0.4119 -0.0327 O.3 1 UNK -0.4592 2 O1 -2.9795 0.4108 -0.0523 O.3 1 UNK -0.4592 3 O2 1.9288 1.6402 -0.1056 O.2 1 UNK -0.2508 4 O3 -1.9310 -1.6434 -0.1110 O.2 1 UNK -0.2508 5 N 6.6730 -0.1168 0.0701 N.4 1 UNK 0.2393 6 N1 -6.6723 0.1191 0.0743 N.4 1 UNK 0.2393 7 C 5.3557 -0.8002 0.0237 C.3 1 UNK 0.0042 8 C1 -5.3549 0.8011 0.0137 C.3 1 UNK 0.0042 9 C2 7.8146 -1.1393 0.1511 C.3 1 UNK -0.0417 10 C3 6.7667 0.8017 1.2962 C.3 1 UNK -0.0417 11 C4 6.8869 0.7394 -1.1855 C.3 1 UNK -0.0417 12 C5 -6.8939 -0.7492 -1.1716 C.3 1 UNK -0.0417 13 C6 -6.7596 -0.7872 1.3097 C.3 1 UNK -0.0417 14 C7 -7.8128 1.1431 0.1516 C.3 1 UNK -0.0417 15 C8 4.2538 0.2399 -0.0244 C.3 1 UNK 0.1321 16 C9 -4.2539 -0.2401 -0.0304 C.3 1 UNK 0.1321 17 C10 0.6365 -0.4234 -0.0881 C.3 1 UNK 0.0550 18 C11 -0.6368 0.4191 -0.1209 C.3 1 UNK 0.0550 19 C12 1.8949 0.4179 -0.0751 C.2 1 UNK 0.3078 20 C13 -1.8958 -0.4207 -0.0926 C.2 1 UNK 0.3078 21 H 5.2367 -1.4070 0.8970 H 1 UNK 0.0849 22 H1 5.3031 -1.4190 -0.8476 H 1 UNK 0.0849 23 H2 -5.2306 1.4164 0.8802 H 1 UNK 0.0849 24 H3 -5.3069 1.4112 -0.8640 H 1 UNK 0.0849 25 H4 7.6862 -1.7490 1.0209 H 1 UNK 0.0778 26 H5 8.7508 -0.6247 0.2113 H 1 UNK 0.0778 27 H6 7.8027 -1.7571 -0.7224 H 1 UNK 0.0778 28 H7 6.6204 0.2253 2.1857 H 1 UNK 0.0778 29 H8 6.0127 1.5584 1.2335 H 1 UNK 0.0778 30 H9 7.7323 1.2618 1.3242 H 1 UNK 0.0778 31 H10 6.8258 0.1188 -2.0550 H 1 UNK 0.0778 32 H11 7.8518 1.1999 -1.1431 H 1 UNK 0.0778 33 H12 6.1323 1.4964 -1.2338 H 1 UNK 0.0778 34 H13 -6.1089 -1.4724 -1.2465 H 1 UNK 0.0778 35 H14 -6.8919 -0.1290 -2.0435 H 1 UNK 0.0778 36 H15 -7.8354 -1.2516 -1.0934 H 1 UNK 0.0778 37 H16 -5.9722 -1.5110 1.2774 H 1 UNK 0.0778 38 H17 -7.7048 -1.2886 1.3182 H 1 UNK 0.0778 39 H18 -6.6626 -0.1939 2.1949 H 1 UNK 0.0778 40 H19 -7.7720 1.7875 -0.7016 H 1 UNK 0.0778 41 H20 -7.7097 1.7252 1.0435 H 1 UNK 0.0778 42 H21 -8.7519 0.6305 0.1668 H 1 UNK 0.0778 43 H22 4.3242 0.8736 0.8349 H 1 UNK 0.0752 44 H23 4.3583 0.8281 -0.9121 H 1 UNK 0.0752 45 H24 -4.3198 -0.8652 0.8355 H 1 UNK 0.0752 46 H25 -4.3637 -0.8369 -0.9117 H 1 UNK 0.0752 47 H26 0.6537 -1.0513 -0.9544 H 1 UNK 0.0383 48 H27 0.6216 -0.9957 0.8159 H 1 UNK 0.0383 49 H28 -0.6364 1.0048 -1.0164 H 1 UNK 0.0383 50 H29 -0.6394 1.0338 0.7549 H 1 UNK 0.0383 @BOND 1 1 15 1 2 1 19 1 3 2 16 1 4 2 20 1 5 3 19 2 6 4 20 2 7 5 7 1 8 5 9 1 9 5 10 1 10 5 11 1 11 6 8 1 12 6 12 1 13 6 13 1 14 6 14 1 15 7 15 1 16 8 16 1 17 17 18 1 18 17 19 1 19 18 20 1 20 7 21 1 21 7 22 1 22 8 23 1 23 8 24 1 24 9 25 1 25 9 26 1 26 9 27 1 27 10 28 1 28 10 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 11 33 1 33 12 34 1 34 12 35 1 35 12 36 1 36 13 37 1 37 13 38 1 38 13 39 1 39 14 40 1 40 14 41 1 41 14 42 1 42 15 43 1 43 15 44 1 44 16 45 1 45 16 46 1 46 17 47 1 47 17 48 1 48 18 49 1 49 18 50 1