@MOLECULE FDBD00476 54 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0408 1.6298 -1.9600 O.3 1 UNK -0.3821 2 O1 -4.9738 -1.7216 1.3652 O.3 1 UNK -0.5068 3 N 1.6716 -0.2038 -0.1729 N.4 1 UNK 0.2399 4 C -0.9396 1.0063 0.3995 C.3 1 UNK 0.0349 5 C1 -0.1240 1.3448 -0.8876 C.3 1 UNK 0.1182 6 C2 0.7202 0.1025 -1.2604 C.3 1 UNK 0.0134 7 C3 0.0444 0.5865 1.5322 C.3 1 UNK -0.0000 8 C4 -1.7499 2.2630 0.8329 C.3 1 UNK -0.0403 9 C5 0.7417 2.6136 -0.7197 C.3 1 UNK -0.0178 10 C6 -1.8523 -0.2121 0.1290 C.ar 1 UNK -0.0313 11 C7 1.0315 -0.5112 1.1074 C.3 1 UNK -0.0306 12 C8 -0.2262 -1.0531 -1.6656 C.3 1 UNK 0.0185 13 C9 -0.9195 3.5455 0.9368 C.3 1 UNK -0.0521 14 C10 -0.1025 3.8216 -0.3171 C.3 1 UNK -0.0502 15 C11 -1.4821 -1.1810 -0.8323 C.ar 1 UNK -0.0379 16 C12 2.6586 -1.2170 -0.5313 C.3 1 UNK -0.0286 17 C13 3.7560 -1.2894 0.4818 C.3 1 UNK -0.0008 18 C14 4.5573 0.0160 0.6662 C.3 1 UNK -0.0454 19 C15 5.0644 -1.9308 -0.0257 C.3 1 UNK -0.0454 20 C16 -3.0307 -0.4266 0.8675 C.ar 1 UNK -0.0161 21 C17 5.8163 -0.8658 0.7998 C.3 1 UNK -0.0522 22 C18 -2.3064 -2.2971 -1.0570 C.ar 1 UNK -0.0547 23 C19 -3.8366 -1.5438 0.6380 C.ar 1 UNK 0.1172 24 C20 -3.4775 -2.4763 -0.3266 C.ar 1 UNK -0.0199 25 H -1.6129 0.8608 -2.1092 H 1 UNK 0.2105 26 H1 -5.2167 -1.0929 2.0161 H 1 UNK 0.2921 27 H2 2.1795 0.6704 -0.0382 H 1 UNK 0.2037 28 H3 1.3346 0.2838 -2.1174 H 1 UNK 0.0883 29 H4 -0.5273 0.2260 2.3617 H 1 UNK 0.0326 30 H5 0.6226 1.4507 1.7845 H 1 UNK 0.0326 31 H6 -2.1846 2.0671 1.7908 H 1 UNK 0.0275 32 H7 -2.4810 2.4332 0.0704 H 1 UNK 0.0275 33 H8 1.2307 2.8255 -1.6475 H 1 UNK 0.0295 34 H9 1.4558 2.4311 0.0559 H 1 UNK 0.0295 35 H10 1.7878 -0.6059 1.8584 H 1 UNK 0.0815 36 H11 0.4842 -1.4236 0.9940 H 1 UNK 0.0815 37 H12 0.3187 -1.9705 -1.5855 H 1 UNK 0.0369 38 H13 -0.5520 -0.8342 -2.6610 H 1 UNK 0.0369 39 H14 -0.2510 3.4537 1.7672 H 1 UNK 0.0266 40 H15 -1.6004 4.3610 1.0640 H 1 UNK 0.0266 41 H16 -0.7689 4.0616 -1.1191 H 1 UNK 0.0266 42 H17 0.5592 4.6368 -0.1109 H 1 UNK 0.0266 43 H18 3.0795 -0.9719 -1.4840 H 1 UNK 0.0817 44 H19 2.1688 -2.1677 -0.5669 H 1 UNK 0.0817 45 H20 3.1866 -1.7198 1.2790 H 1 UNK 0.0352 46 H21 4.3070 0.5745 1.5439 H 1 UNK 0.0270 47 H22 4.5011 0.8185 -0.0393 H 1 UNK 0.0270 48 H23 5.2141 -1.8653 -1.0831 H 1 UNK 0.0270 49 H24 5.2622 -2.9764 0.0857 H 1 UNK 0.0270 50 H25 -3.3047 0.2547 1.5926 H 1 UNK 0.0657 51 H26 6.0523 -1.1601 1.8011 H 1 UNK 0.0266 52 H27 6.7864 -0.5130 0.5183 H 1 UNK 0.0266 53 H28 -2.0401 -2.9919 -1.7721 H 1 UNK 0.0622 54 H29 -4.0764 -3.2985 -0.5010 H 1 UNK 0.0654 @BOND 1 1 5 1 2 2 23 1 3 3 6 1 4 3 11 1 5 3 16 1 6 4 5 1 7 4 7 1 8 4 8 1 9 4 10 1 10 5 6 1 11 5 9 1 12 6 12 1 13 7 11 1 14 8 13 1 15 9 14 1 16 10 15 ar 17 10 20 ar 18 12 15 1 19 13 14 1 20 15 22 ar 21 16 17 1 22 17 18 1 23 17 19 1 24 18 21 1 25 19 21 1 26 20 23 ar 27 22 24 ar 28 23 24 ar 29 1 25 1 30 2 26 1 31 3 27 1 32 6 28 1 33 7 29 1 34 7 30 1 35 8 31 1 36 8 32 1 37 9 33 1 38 9 34 1 39 11 35 1 40 11 36 1 41 12 37 1 42 12 38 1 43 13 39 1 44 13 40 1 45 14 41 1 46 14 42 1 47 16 43 1 48 16 44 1 49 17 45 1 50 18 46 1 51 18 47 1 52 19 48 1 53 19 49 1 54 20 50 1 55 21 51 1 56 21 52 1 57 22 53 1 58 24 54 1