@MOLECULE FDBD00443 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.9605 1.1415 -0.8877 O.3 1 UNK -0.4584 2 O1 0.4996 2.1021 0.0503 O.3 1 UNK -0.3185 3 O2 4.5840 0.9071 0.7310 O.2 1 UNK -0.2444 4 O3 -5.1669 -0.8327 -1.1520 O.2 1 UNK -0.2650 5 N -1.7504 1.6618 0.4012 N.ar 1 UNK -0.0989 6 N1 5.0487 -1.6737 0.0127 N.4 1 UNK 0.2289 7 N2 -1.6571 -0.7166 0.8853 N.ar 1 UNK -0.1176 8 N3 -3.6736 1.6743 -0.7294 N.ar 1 UNK -0.2933 9 N4 -3.5175 -1.9639 0.0192 N.ar 1 UNK -0.2536 10 N5 -1.7777 -2.9996 1.2258 N.pl3 1 UNK -0.2897 11 C 2.5998 -1.7041 -0.5363 C.3 1 UNK 0.0068 12 C1 3.9606 -0.9840 -0.6822 C.3 1 UNK 0.0766 13 C2 2.1210 -1.6960 0.9195 C.3 1 UNK -0.0570 14 C3 2.6043 -3.1413 -1.0707 C.3 1 UNK -0.0570 15 C4 3.9001 0.4493 -0.1755 C.2 1 UNK 0.3562 16 C5 -2.1930 0.3929 0.3702 C.ar 1 UNK 0.4821 17 C6 -0.5333 2.1639 1.0234 C.3 1 UNK 0.2633 18 C7 2.7894 2.5125 -0.5147 C.3 1 UNK 0.1161 19 C8 -3.3687 0.4061 -0.3219 C.ar 1 UNK 0.2530 20 C9 1.7277 2.6031 0.5644 C.3 1 UNK 0.0882 21 C10 -2.6740 2.4115 -0.2753 C.ar 1 UNK 0.2536 22 C11 -4.1090 -0.8215 -0.5344 C.ar 1 UNK 0.2913 23 C12 -2.3746 -1.8928 0.6770 C.ar 1 UNK 0.3555 24 H 5.1042 -2.6380 -0.3151 H 1 UNK 0.2003 25 H1 4.8699 -1.6657 1.0169 H 1 UNK 0.2003 26 H2 5.9303 -1.1980 -0.1794 H 1 UNK 0.2003 27 H3 -0.8071 -0.7042 1.3818 H 1 UNK 0.4627 28 H4 -4.4586 1.9715 -1.2439 H 1 UNK 0.1714 29 H5 -3.9620 -2.8363 -0.0840 H 1 UNK 0.1760 30 H6 -0.9252 -2.9100 1.7099 H 1 UNK 0.1493 31 H7 -2.2019 -3.8834 1.1355 H 1 UNK 0.1493 32 H8 1.9174 -1.1462 -1.1429 H 1 UNK 0.0356 33 H9 4.1659 -0.9901 -1.7323 H 1 UNK 0.0971 34 H10 2.8054 -2.2546 1.5232 H 1 UNK 0.0234 35 H11 1.1493 -2.1403 0.9779 H 1 UNK 0.0234 36 H12 2.0739 -0.6875 1.2739 H 1 UNK 0.0234 37 H13 3.2774 -3.7360 -0.4891 H 1 UNK 0.0234 38 H14 2.9209 -3.1408 -2.0928 H 1 UNK 0.0234 39 H15 1.6178 -3.5500 -1.0031 H 1 UNK 0.0234 40 H16 -0.6759 3.1756 1.3413 H 1 UNK 0.1378 41 H17 -0.2787 1.5775 1.8814 H 1 UNK 0.1378 42 H18 2.4827 3.0806 -1.3680 H 1 UNK 0.0721 43 H19 3.7140 2.9042 -0.1452 H 1 UNK 0.0721 44 H20 2.0262 2.0207 1.4109 H 1 UNK 0.0596 45 H21 1.6043 3.6226 0.8649 H 1 UNK 0.0596 46 H22 -2.5993 3.4313 -0.4146 H 1 UNK 0.1601 @BOND 1 1 15 1 2 1 18 1 3 2 17 1 4 2 20 1 5 3 15 2 6 4 22 2 7 5 16 ar 8 5 17 1 9 5 21 ar 10 6 12 1 11 7 16 ar 12 7 23 ar 13 8 19 ar 14 8 21 ar 15 9 22 ar 16 9 23 ar 17 10 23 1 18 11 12 1 19 11 13 1 20 11 14 1 21 12 15 1 22 16 19 ar 23 18 20 1 24 19 22 ar 25 6 24 1 26 6 25 1 27 6 26 1 28 7 27 1 29 8 28 1 30 9 29 1 31 10 30 1 32 10 31 1 33 11 32 1 34 12 33 1 35 13 34 1 36 13 35 1 37 13 36 1 38 14 37 1 39 14 38 1 40 14 39 1 41 17 40 1 42 17 41 1 43 18 42 1 44 18 43 1 45 20 44 1 46 20 45 1 47 21 46 1