@MOLECULE FDBD01049 50 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9271 -3.2972 1.0267 O.3 1 UNK -0.3889 2 O1 -2.3839 -2.5948 -1.3015 O.3 1 UNK -0.3889 3 O2 0.2115 1.6785 0.4226 O.3 1 UNK -0.4889 4 O3 2.5068 3.1983 0.9911 O.3 1 UNK -0.3831 5 N 3.0987 -0.0098 -0.7595 N.4 1 UNK 0.2327 6 C -1.7461 -2.1332 0.9846 C.3 1 UNK 0.0854 7 C1 -2.8998 -2.3680 0.0114 C.3 1 UNK 0.0853 8 C2 -0.9035 -0.9276 0.5658 C.3 1 UNK 0.0046 9 C3 -3.8362 -1.1575 -0.0098 C.3 1 UNK 0.0013 10 C4 -1.7388 0.2794 0.2228 C.ar 1 UNK 0.0001 11 C5 -3.1092 0.1672 -0.0793 C.ar 1 UNK -0.0381 12 C6 -1.1193 1.5367 0.1554 C.ar 1 UNK 0.1241 13 C7 3.6582 -1.2757 -0.3056 C.3 1 UNK -0.0203 14 C8 -3.8377 1.3213 -0.4076 C.ar 1 UNK -0.0580 15 C9 2.4669 2.2998 -0.1213 C.3 1 UNK 0.1285 16 C10 3.0417 0.9551 0.3302 C.3 1 UNK -0.0033 17 C11 1.0272 2.2038 -0.6213 C.3 1 UNK 0.1204 18 C12 -1.8528 2.6735 -0.1818 C.ar 1 UNK -0.0196 19 C13 -3.2120 2.5665 -0.4606 C.ar 1 UNK -0.0580 20 C14 3.7032 -2.2436 -1.4926 C.3 1 UNK -0.0193 21 C15 5.0751 -1.0224 0.2203 C.3 1 UNK -0.0193 22 C16 2.7771 -1.8505 0.8099 C.3 1 UNK -0.0193 23 H -1.4634 -4.0605 1.2925 H 1 UNK 0.2099 24 H1 -1.7905 -3.3620 -1.2877 H 1 UNK 0.2099 25 H2 3.4174 3.2678 1.3181 H 1 UNK 0.2102 26 H3 2.1555 -0.1696 -1.1135 H 1 UNK 0.2020 27 H4 3.6972 0.3653 -1.4953 H 1 UNK 0.2020 28 H5 -2.1537 -1.9322 1.9533 H 1 UNK 0.0622 29 H6 -3.4509 -3.2264 0.3343 H 1 UNK 0.0622 30 H7 -0.3241 -1.1972 -0.2924 H 1 UNK 0.0340 31 H8 -0.2835 -0.6641 1.3971 H 1 UNK 0.0340 32 H9 -4.4288 -1.1722 0.8810 H 1 UNK 0.0339 33 H10 -4.4319 -1.2362 -0.8951 H 1 UNK 0.0339 34 H11 -4.8466 1.2476 -0.6118 H 1 UNK 0.0620 35 H12 3.0607 2.6448 -0.9418 H 1 UNK 0.0681 36 H13 4.0317 1.1113 0.7049 H 1 UNK 0.0841 37 H14 2.3980 0.5592 1.0877 H 1 UNK 0.0841 38 H15 0.6766 3.1766 -0.8964 H 1 UNK 0.0725 39 H16 0.9817 1.5615 -1.4758 H 1 UNK 0.0725 40 H17 -1.3879 3.5939 -0.2246 H 1 UNK 0.0654 41 H18 -3.7565 3.4080 -0.7064 H 1 UNK 0.0619 42 H19 4.3201 -1.8330 -2.2644 H 1 UNK 0.0287 43 H20 2.7128 -2.3926 -1.8691 H 1 UNK 0.0287 44 H21 4.1081 -3.1811 -1.1732 H 1 UNK 0.0287 45 H22 5.6809 -0.6218 -0.5655 H 1 UNK 0.0287 46 H23 5.4984 -1.9435 0.5627 H 1 UNK 0.0287 47 H24 5.0353 -0.3251 1.0309 H 1 UNK 0.0287 48 H25 1.7910 -2.0234 0.4322 H 1 UNK 0.0287 49 H26 2.7312 -1.1554 1.6221 H 1 UNK 0.0287 50 H27 3.1943 -2.7738 1.1539 H 1 UNK 0.0287 @BOND 1 1 6 1 2 2 7 1 3 3 12 1 4 3 17 1 5 4 15 1 6 5 13 1 7 5 16 1 8 6 7 1 9 6 8 1 10 7 9 1 11 8 10 1 12 9 11 1 13 10 11 ar 14 10 12 ar 15 11 14 ar 16 12 18 ar 17 13 20 1 18 13 21 1 19 13 22 1 20 14 19 ar 21 15 16 1 22 15 17 1 23 18 19 ar 24 1 23 1 25 2 24 1 26 4 25 1 27 5 26 1 28 5 27 1 29 6 28 1 30 7 29 1 31 8 30 1 32 8 31 1 33 9 32 1 34 9 33 1 35 14 34 1 36 15 35 1 37 16 36 1 38 16 37 1 39 17 38 1 40 17 39 1 41 18 40 1 42 19 41 1 43 20 42 1 44 20 43 1 45 20 44 1 46 21 45 1 47 21 46 1 48 21 47 1 49 22 48 1 50 22 49 1 51 22 50 1