@MOLECULE FDBD01157 51 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1434 -0.6152 0.1628 O.3 1 UNK -0.4889 2 O1 -0.7840 1.5115 1.8850 O.3 1 UNK -0.3831 3 N -3.6636 -0.2732 0.4001 N.4 1 UNK 0.2327 4 C 2.1930 1.0028 -0.2197 C.3 1 UNK -0.0124 5 C1 3.0374 1.6576 0.8881 C.3 1 UNK -0.0461 6 C2 2.7062 1.6028 -1.5452 C.3 1 UNK -0.0461 7 C3 3.6204 2.9055 0.2426 C.3 1 UNK -0.0525 8 C4 3.9184 2.4499 -1.1749 C.3 1 UNK -0.0525 9 C5 2.2296 -0.5080 -0.1592 C.ar 1 UNK -0.0026 10 C6 1.0647 -1.2454 0.0284 C.ar 1 UNK 0.1240 11 C7 3.4518 -1.1665 -0.2943 C.ar 1 UNK -0.0548 12 C8 -4.6037 0.1097 -0.6585 C.3 1 UNK -0.0203 13 C9 -1.6738 0.4058 1.7059 C.3 1 UNK 0.1285 14 C10 -2.6763 0.7723 0.6091 C.3 1 UNK -0.0033 15 C11 -0.8493 -0.8376 1.3797 C.3 1 UNK 0.1204 16 C12 1.1102 -2.6353 0.0823 C.ar 1 UNK -0.0197 17 C13 3.5032 -2.5594 -0.2409 C.ar 1 UNK -0.0613 18 C14 -3.8346 0.3301 -1.9665 C.3 1 UNK -0.0193 19 C15 -5.3107 1.4029 -0.2390 C.3 1 UNK -0.0193 20 C16 -5.6279 -1.0166 -0.8333 C.3 1 UNK -0.0193 21 C17 2.3324 -3.2938 -0.0526 C.ar 1 UNK -0.0583 22 H -1.2964 2.3084 2.0930 H 1 UNK 0.2102 23 H1 -3.1881 -1.1345 0.1309 H 1 UNK 0.2020 24 H2 -4.1830 -0.4134 1.2667 H 1 UNK 0.2020 25 H3 1.1506 1.2153 -0.1053 H 1 UNK 0.0350 26 H4 3.8174 0.9984 1.2074 H 1 UNK 0.0271 27 H5 2.4575 1.8851 1.7581 H 1 UNK 0.0271 28 H6 1.9503 2.2110 -1.9964 H 1 UNK 0.0271 29 H7 2.9594 0.8398 -2.2513 H 1 UNK 0.0271 30 H8 4.5141 3.2154 0.7428 H 1 UNK 0.0265 31 H9 2.9627 3.7484 0.2849 H 1 UNK 0.0265 32 H10 4.0134 3.2882 -1.8330 H 1 UNK 0.0265 33 H11 4.8397 1.9112 -1.2520 H 1 UNK 0.0265 34 H12 4.3180 -0.6232 -0.4338 H 1 UNK 0.0622 35 H13 -2.2319 0.1875 2.5923 H 1 UNK 0.0681 36 H14 -3.1814 1.6728 0.8901 H 1 UNK 0.0841 37 H15 -2.1336 0.9006 -0.3041 H 1 UNK 0.0841 38 H16 -0.1529 -1.0246 2.1702 H 1 UNK 0.0725 39 H17 -1.4950 -1.6844 1.2754 H 1 UNK 0.0725 40 H18 0.2428 -3.1768 0.2216 H 1 UNK 0.0654 41 H19 4.4075 -3.0466 -0.3407 H 1 UNK 0.0618 42 H20 -3.1229 1.1179 -1.8333 H 1 UNK 0.0287 43 H21 -4.5207 0.5968 -2.7431 H 1 UNK 0.0287 44 H22 -3.3235 -0.5705 -2.2359 H 1 UNK 0.0287 45 H23 -4.5874 2.1823 -0.1197 H 1 UNK 0.0287 46 H24 -5.8216 1.2456 0.6879 H 1 UNK 0.0287 47 H25 -6.0168 1.6838 -0.9922 H 1 UNK 0.0287 48 H26 -5.1244 -1.9142 -1.1260 H 1 UNK 0.0287 49 H27 -6.3348 -0.7419 -1.5881 H 1 UNK 0.0287 50 H28 -6.1396 -1.1802 0.0921 H 1 UNK 0.0287 51 H29 2.3704 -4.3243 -0.0131 H 1 UNK 0.0619 @BOND 1 1 10 1 2 1 15 1 3 2 13 1 4 3 12 1 5 3 14 1 6 4 5 1 7 4 6 1 8 4 9 1 9 5 7 1 10 6 8 1 11 7 8 1 12 9 10 ar 13 9 11 ar 14 10 16 ar 15 11 17 ar 16 12 18 1 17 12 19 1 18 12 20 1 19 13 14 1 20 13 15 1 21 16 21 ar 22 17 21 ar 23 2 22 1 24 3 23 1 25 3 24 1 26 4 25 1 27 5 26 1 28 5 27 1 29 6 28 1 30 6 29 1 31 7 30 1 32 7 31 1 33 8 32 1 34 8 33 1 35 11 34 1 36 13 35 1 37 14 36 1 38 14 37 1 39 15 38 1 40 15 39 1 41 16 40 1 42 17 41 1 43 18 42 1 44 18 43 1 45 18 44 1 46 19 45 1 47 19 46 1 48 19 47 1 49 20 48 1 50 20 49 1 51 20 50 1 52 21 51 1