@MOLECULE FDBD00425 42 42 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1679 1.1445 0.1971 O.2 1 UNK -0.4826 2 O1 1.8967 -1.1725 1.5869 O.3 1 UNK -0.3854 3 O2 3.4725 -0.3744 -1.6189 O.3 1 UNK -0.3868 4 O3 5.7983 -0.8665 -0.2269 O.3 1 UNK -0.3924 5 O4 -2.1483 -2.7314 1.2905 O.2 1 UNK -0.2761 6 O5 1.7859 3.5853 0.5484 O.co2 1 UNK -0.5416 7 O6 -0.3301 4.3746 0.1887 O.co2 1 UNK -0.5416 8 N -0.7741 -1.9947 -0.4381 N.am 1 UNK -0.3053 9 N1 -2.7899 0.0973 0.3904 N.pl3 1 UNK -0.1040 10 N2 -5.1003 0.1829 0.4722 N.pl3 1 UNK -0.2892 11 N3 -4.1117 0.8273 -1.4778 N.pl3 1 UNK -0.2892 12 C 0.9015 -0.1670 -0.3347 C.3 1 UNK 0.1502 13 C1 -0.4931 -0.6742 0.0812 C.3 1 UNK 0.1030 14 C2 2.0307 -1.0625 0.1726 C.3 1 UNK 0.1217 15 C3 -1.5692 0.3167 -0.3968 C.3 1 UNK 0.1586 16 C4 3.4215 -0.5319 -0.1963 C.3 1 UNK 0.1075 17 C5 -1.1264 1.7369 -0.2285 C.2 1 UNK 0.0013 18 C6 0.1439 2.0488 0.0631 C.2 1 UNK 0.1429 19 C7 4.5718 -1.4563 0.1961 C.3 1 UNK 0.0727 20 C8 -1.5807 -2.9105 0.2162 C.2 1 UNK 0.2104 21 C9 0.4718 3.4607 0.2661 C.2 1 UNK 0.1061 22 C10 -3.9125 0.3621 -0.1970 C.cat 1 UNK 0.3771 23 C11 -1.7261 -4.1953 -0.5545 C.3 1 UNK 0.0122 24 H 1.0129 -1.5089 1.8027 H 1 UNK 0.2101 25 H1 2.7529 0.2095 -1.9056 H 1 UNK 0.2100 26 H2 6.5369 -1.4459 0.0175 H 1 UNK 0.2095 27 H3 -0.3724 -2.2549 -1.2984 H 1 UNK 0.1492 28 H4 -5.0978 -0.1470 1.3998 H 1 UNK 0.2546 29 H5 -5.9532 0.3845 0.0237 H 1 UNK 0.2546 30 H6 -3.3402 0.9980 -2.0651 H 1 UNK 0.2546 31 H7 -5.0256 0.9892 -1.8061 H 1 UNK 0.2546 32 H8 0.8804 -0.1620 -1.4045 H 1 UNK 0.0780 33 H9 -0.5061 -0.7425 1.1489 H 1 UNK 0.0575 34 H10 1.9481 -2.0200 -0.2978 H 1 UNK 0.0658 35 H11 -1.7474 0.1479 -1.4383 H 1 UNK 0.0796 36 H12 3.5498 0.3833 0.3430 H 1 UNK 0.0643 37 H13 -1.8173 2.4954 -0.3399 H 1 UNK 0.0645 38 H14 4.5826 -1.5865 1.2581 H 1 UNK 0.0584 39 H15 4.4470 -2.4110 -0.2706 H 1 UNK 0.0584 40 H16 -2.3556 -4.8682 -0.0106 H 1 UNK 0.0322 41 H17 -0.7626 -4.6401 -0.6913 H 1 UNK 0.0322 42 H18 -2.1634 -3.9909 -1.5094 H 1 UNK 0.0322 @BOND 1 1 12 1 2 1 18 1 3 2 14 1 4 3 16 1 5 4 19 1 6 5 20 2 7 6 21 ar 8 7 21 ar 9 8 13 1 10 8 20 am 11 9 15 1 12 9 22 2 13 10 22 1 14 11 22 1 15 12 13 1 16 12 14 1 17 13 15 1 18 14 16 1 19 15 17 1 20 16 19 1 21 17 18 2 22 18 21 1 23 20 23 1 24 2 24 1 25 3 25 1 26 4 26 1 27 8 27 1 28 10 28 1 29 10 29 1 30 11 30 1 31 11 31 1 32 12 32 1 33 13 33 1 34 14 34 1 35 15 35 1 36 16 36 1 37 17 37 1 38 19 38 1 39 19 39 1 40 23 40 1 41 23 41 1 42 23 42 1