@MOLECULE FDBD01004 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.7662 2.2728 0.0221 O.3 1 UNK -0.4913 2 O1 4.8486 -2.5156 -0.0344 O.3 1 UNK -0.4913 3 O2 6.1896 -0.0995 0.1562 O.3 1 UNK -0.4885 4 N 0.6645 -0.1869 -0.4924 N.pl3 1 UNK -0.3395 5 N1 -5.6194 -0.3330 -1.1825 N.ar 1 UNK -0.2146 6 N2 -5.9352 -0.3432 1.2064 N.ar 1 UNK -0.1995 7 N3 -4.1905 0.1178 2.6691 N.pl3 1 UNK -0.3425 8 N4 -7.7149 -0.8130 -0.2429 N.pl3 1 UNK -0.3274 9 C -1.5980 0.6512 -0.6961 C.ar 1 UNK -0.0267 10 C1 -2.4105 0.4858 0.4210 C.ar 1 UNK -0.0333 11 C2 -0.1516 1.0040 -0.5715 C.3 1 UNK 0.0346 12 C3 -3.7670 0.1539 0.2607 C.ar 1 UNK 0.0432 13 C4 -4.3233 -0.0157 -1.0177 C.ar 1 UNK 0.0781 14 C5 -2.1372 0.4858 -1.9671 C.ar 1 UNK -0.0548 15 C6 -3.4872 0.1558 -2.1183 C.ar 1 UNK -0.0352 16 C7 -1.7523 0.6815 1.7540 C.3 1 UNK -0.0387 17 C8 2.0394 -0.1651 -0.3312 C.ar 1 UNK 0.0346 18 C9 -4.6333 -0.0255 1.3354 C.ar 1 UNK 0.1293 19 C10 2.7786 -1.3614 -0.2612 C.ar 1 UNK 0.0048 20 C11 2.7369 1.0540 -0.2325 C.ar 1 UNK 0.0048 21 C12 4.1220 1.0759 -0.0699 C.ar 1 UNK 0.1669 22 C13 4.1637 -1.3396 -0.0981 C.ar 1 UNK 0.1669 23 C14 4.8355 -0.1210 -0.0025 C.ar 1 UNK 0.2036 24 C15 -6.3549 -0.4796 -0.0618 C.ar 1 UNK 0.2148 25 C16 4.9245 2.8249 1.3275 C.3 1 UNK 0.0790 26 C17 5.0266 -3.0926 1.2577 C.3 1 UNK 0.0790 27 C18 6.9796 -0.0716 -1.0302 C.3 1 UNK 0.0791 28 H 0.2177 -1.0618 -0.5567 H 1 UNK 0.1464 29 H1 -4.8208 -0.0137 3.4139 H 1 UNK 0.1437 30 H2 -3.2516 0.3492 2.8539 H 1 UNK 0.1437 31 H3 -8.0774 -0.9256 -1.1513 H 1 UNK 0.1452 32 H4 -8.3007 -0.9328 0.5392 H 1 UNK 0.1452 33 H5 0.1445 1.5756 -1.4262 H 1 UNK 0.0511 34 H6 -0.0142 1.5730 0.3242 H 1 UNK 0.0511 35 H7 -1.5399 0.6068 -2.8000 H 1 UNK 0.0622 36 H8 -3.8734 0.0364 -3.0678 H 1 UNK 0.0639 37 H9 -0.7208 0.9265 1.6099 H 1 UNK 0.0278 38 H10 -1.8283 -0.2201 2.3251 H 1 UNK 0.0278 39 H11 -2.2382 1.4777 2.2782 H 1 UNK 0.0278 40 H12 2.2888 -2.2670 -0.3315 H 1 UNK 0.0674 41 H13 2.2161 1.9436 -0.2811 H 1 UNK 0.0674 42 H14 5.4425 3.7587 1.2594 H 1 UNK 0.0660 43 H15 5.4879 2.1480 1.9351 H 1 UNK 0.0660 44 H16 3.9619 2.9822 1.7674 H 1 UNK 0.0660 45 H17 5.5762 -4.0062 1.1677 H 1 UNK 0.0660 46 H18 4.0702 -3.2931 1.6936 H 1 UNK 0.0660 47 H19 5.5669 -2.4113 1.8812 H 1 UNK 0.0660 48 H20 8.0168 -0.0568 -0.7678 H 1 UNK 0.0660 49 H21 6.7424 0.8049 -1.5961 H 1 UNK 0.0660 50 H22 6.7726 -0.9420 -1.6171 H 1 UNK 0.0660 @BOND 1 1 21 1 2 1 25 1 3 2 22 1 4 2 26 1 5 3 23 1 6 3 27 1 7 4 11 1 8 4 17 1 9 5 13 ar 10 5 24 ar 11 6 18 ar 12 6 24 ar 13 7 18 1 14 8 24 1 15 9 10 ar 16 9 11 1 17 9 14 ar 18 10 12 ar 19 10 16 1 20 12 13 ar 21 12 18 ar 22 13 15 ar 23 14 15 ar 24 17 19 ar 25 17 20 ar 26 19 22 ar 27 20 21 ar 28 21 23 ar 29 22 23 ar 30 4 28 1 31 7 29 1 32 7 30 1 33 8 31 1 34 8 32 1 35 11 33 1 36 11 34 1 37 14 35 1 38 15 36 1 39 16 37 1 40 16 38 1 41 16 39 1 42 19 40 1 43 20 41 1 44 25 42 1 45 25 43 1 46 25 44 1 47 26 45 1 48 26 46 1 49 26 47 1 50 27 48 1 51 27 49 1 52 27 50 1