@MOLECULE FDBD00157 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6726 0.6347 -0.0227 O.3 1 UNK -0.4586 2 O1 -3.2526 -0.8355 0.5286 O.3 1 UNK -0.4646 3 O2 2.3398 2.2589 1.5929 O.2 1 UNK -0.2452 4 O3 -0.1394 -1.8581 -2.8014 O.2 1 UNK -0.2416 5 O4 -3.4538 0.8381 2.1155 O.2 1 UNK -0.2452 6 N -1.0744 2.4888 -1.2918 N.pl3 1 UNK -0.3207 7 N1 -0.3127 -0.8225 -1.8992 N.ar 1 UNK -0.0486 8 N2 0.2104 -3.0392 -2.1698 N.ar 1 UNK -0.0489 9 C -0.4405 0.7015 0.8132 C.3 1 UNK 0.0528 10 C1 0.5968 1.5991 0.1287 C.2 1 UNK 0.0652 11 C2 -1.8738 0.9895 0.3553 C.2 1 UNK 0.0652 12 C3 -0.1063 -0.7427 0.5719 C.ar 1 UNK -0.0043 13 C4 0.2484 2.4270 -0.8826 C.2 1 UNK 0.0157 14 C5 -2.1249 1.8304 -0.6733 C.2 1 UNK 0.0157 15 C6 -0.0727 -1.3457 -0.6904 C.ar 1 UNK 0.1382 16 C7 1.9643 1.5576 0.6717 C.2 1 UNK 0.3378 17 C8 0.2005 -1.5862 1.6463 C.ar 1 UNK -0.0554 18 C9 1.1913 3.3182 -1.6450 C.3 1 UNK -0.0260 19 C10 -2.9526 0.3450 1.1219 C.2 1 UNK 0.3373 20 C11 -3.4867 2.1413 -1.2334 C.3 1 UNK -0.0260 21 C12 0.2597 -2.7549 -0.8623 C.ar 1 UNK 0.1345 22 C13 0.5245 -2.9583 1.4789 C.ar 1 UNK -0.0592 23 C14 0.5668 -3.5939 0.2245 C.ar 1 UNK -0.0308 24 C15 4.0333 0.4762 0.3918 C.3 1 UNK 0.0978 25 C16 4.0664 0.0785 1.8596 C.3 1 UNK -0.0280 26 C17 4.7085 -0.5615 -0.4920 C.3 1 UNK -0.0280 27 C18 -4.2931 -1.5863 1.1629 C.3 1 UNK 0.0820 28 H -1.2828 3.0410 -2.0797 H 1 UNK 0.1516 29 H1 -0.3984 0.9188 1.8600 H 1 UNK 0.0452 30 H2 0.1907 -1.1939 2.6008 H 1 UNK 0.0621 31 H3 0.6459 3.8621 -2.3877 H 1 UNK 0.0290 32 H4 1.9415 2.7208 -2.1195 H 1 UNK 0.0290 33 H5 1.6569 4.0054 -0.9698 H 1 UNK 0.0290 34 H6 -3.3900 2.8367 -2.0409 H 1 UNK 0.0290 35 H7 -4.0988 2.5681 -0.4665 H 1 UNK 0.0290 36 H8 -3.9395 1.2402 -1.5910 H 1 UNK 0.0290 37 H9 0.7397 -3.5173 2.3193 H 1 UNK 0.0618 38 H10 0.8033 -4.5920 0.1110 H 1 UNK 0.0640 39 H11 4.5692 1.3964 0.2876 H 1 UNK 0.0728 40 H12 3.5360 -0.8413 1.9920 H 1 UNK 0.0265 41 H13 3.6046 0.8443 2.4471 H 1 UNK 0.0265 42 H14 5.0819 -0.0473 2.1722 H 1 UNK 0.0265 43 H15 4.1909 -1.4941 -0.4063 H 1 UNK 0.0265 44 H16 5.7246 -0.6877 -0.1814 H 1 UNK 0.0265 45 H17 4.6849 -0.2327 -1.5100 H 1 UNK 0.0265 46 H18 -4.4557 -2.4962 0.6239 H 1 UNK 0.0661 47 H19 -5.1948 -1.0102 1.1705 H 1 UNK 0.0661 48 H20 -4.0066 -1.8137 2.1684 H 1 UNK 0.0661 @BOND 1 1 16 1 2 1 24 1 3 2 19 1 4 2 27 1 5 3 16 2 6 4 7 ar 7 4 8 ar 8 5 19 2 9 6 13 1 10 6 14 1 11 7 15 ar 12 8 21 ar 13 9 10 1 14 9 11 1 15 9 12 1 16 10 13 2 17 10 16 1 18 11 14 2 19 11 19 1 20 12 15 ar 21 12 17 ar 22 13 18 1 23 14 20 1 24 15 21 ar 25 17 22 ar 26 21 23 ar 27 22 23 ar 28 24 25 1 29 24 26 1 30 6 28 1 31 9 29 1 32 17 30 1 33 18 31 1 34 18 32 1 35 18 33 1 36 20 34 1 37 20 35 1 38 20 36 1 39 22 37 1 40 23 38 1 41 24 39 1 42 25 40 1 43 25 41 1 44 25 42 1 45 26 43 1 46 26 44 1 47 26 45 1 48 27 46 1 49 27 47 1 50 27 48 1