@MOLECULE FDBD00048 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 7.8639 2.1057 -1.3673 O.co2 1 UNK -0.5479 2 O1 4.2499 1.4582 2.0864 O.2 1 UNK -0.2702 3 O2 5.8603 1.7886 -2.3845 O.co2 1 UNK -0.5479 4 O3 7.4689 -3.5749 -0.9839 O.co2 1 UNK -0.5498 5 O4 8.2061 -2.6225 0.9389 O.co2 1 UNK -0.5498 6 O5 -6.5890 2.3275 0.4909 O.2 1 UNK -0.2651 7 N 4.7078 0.9130 -0.1208 N.am 1 UNK -0.3034 8 N1 -1.6391 0.0022 0.1226 N.pl3 1 UNK -0.3382 9 N2 -4.7597 0.3856 0.6113 N.ar 1 UNK -0.2362 10 N3 -7.6696 -1.2894 -0.8254 N.ar 1 UNK -0.1578 11 N4 -5.4931 -2.1638 -0.3085 N.ar 1 UNK -0.1911 12 N5 -8.2238 0.9915 -0.4182 N.ar 1 UNK -0.2538 13 N6 -9.7672 -0.5139 -1.3412 N.pl3 1 UNK -0.2898 14 C 6.1315 1.1265 -0.0566 C.3 1 UNK 0.0632 15 C1 6.8998 -0.1291 0.3732 C.3 1 UNK -0.0241 16 C2 6.7887 -1.3355 -0.5679 C.3 1 UNK -0.0112 17 C3 3.8743 1.0998 0.9732 C.2 1 UNK 0.2446 18 C4 2.4338 0.8124 0.7510 C.ar 1 UNK 0.0368 19 C5 6.5722 1.6850 -1.3940 C.2 1 UNK 0.0620 20 C6 -0.2712 0.2734 0.3336 C.ar 1 UNK 0.0275 21 C7 -2.5216 -0.4032 1.1725 C.3 1 UNK 0.0530 22 C8 1.6279 0.4195 1.8196 C.ar 1 UNK -0.0479 23 C9 1.8871 0.9359 -0.5263 C.ar 1 UNK -0.0479 24 C10 0.2754 0.1500 1.6110 C.ar 1 UNK -0.0401 25 C11 0.5345 0.6664 -0.7350 C.ar 1 UNK -0.0401 26 C12 -3.9031 -0.6520 0.6336 C.ar 1 UNK 0.0775 27 C13 7.5540 -2.5519 -0.0934 C.2 1 UNK 0.0418 28 C14 -5.9855 0.1140 0.1195 C.ar 1 UNK 0.2209 29 C15 -6.3680 -1.1359 -0.3393 C.ar 1 UNK 0.3371 30 C16 -4.2629 -1.9028 0.1822 C.ar 1 UNK 0.0569 31 C17 -6.9554 1.2310 0.0796 C.ar 1 UNK 0.2882 32 C18 -8.5271 -0.2112 -0.8368 C.ar 1 UNK 0.3521 33 H 4.3109 0.6233 -0.9739 H 1 UNK 0.1496 34 H1 -2.0025 0.0961 -0.7876 H 1 UNK 0.1465 35 H2 -7.9725 -2.1650 -1.1584 H 1 UNK 0.4581 36 H3 -8.8894 1.7159 -0.4571 H 1 UNK 0.1760 37 H4 -9.9640 -1.4285 -1.6479 H 1 UNK 0.1493 38 H5 -10.4599 0.1835 -1.3963 H 1 UNK 0.1493 39 H6 6.3638 1.8355 0.7103 H 1 UNK 0.0560 40 H7 6.5318 -0.4266 1.3329 H 1 UNK 0.0290 41 H8 7.9334 0.1476 0.3696 H 1 UNK 0.0290 42 H9 7.1679 -1.0512 -1.5272 H 1 UNK 0.0325 43 H10 5.7552 -1.6107 -0.6016 H 1 UNK 0.0325 44 H11 -2.5661 0.3684 1.9125 H 1 UNK 0.0527 45 H12 -2.1510 -1.3089 1.6052 H 1 UNK 0.0527 46 H13 2.0324 0.3282 2.7646 H 1 UNK 0.0626 47 H14 2.4833 1.2266 -1.3169 H 1 UNK 0.0626 48 H15 -0.3208 -0.1407 2.4016 H 1 UNK 0.0636 49 H16 0.1299 0.7578 -1.6800 H 1 UNK 0.0636 50 H17 -3.5689 -2.6656 0.2204 H 1 UNK 0.0850 @BOND 1 1 19 ar 2 2 17 2 3 3 19 ar 4 4 27 ar 5 5 27 ar 6 6 31 2 7 7 14 1 8 7 17 am 9 8 20 1 10 8 21 1 11 9 26 ar 12 9 28 ar 13 10 29 ar 14 10 32 ar 15 11 29 ar 16 11 30 ar 17 12 31 ar 18 12 32 ar 19 13 32 1 20 14 15 1 21 14 19 1 22 15 16 1 23 16 27 1 24 17 18 1 25 18 22 ar 26 18 23 ar 27 20 24 ar 28 20 25 ar 29 21 26 1 30 22 24 ar 31 23 25 ar 32 26 30 ar 33 28 29 ar 34 28 31 ar 35 7 33 1 36 8 34 1 37 10 35 1 38 12 36 1 39 13 37 1 40 13 38 1 41 14 39 1 42 15 40 1 43 15 41 1 44 16 42 1 45 16 43 1 46 21 44 1 47 21 45 1 48 22 46 1 49 23 47 1 50 24 48 1 51 25 49 1 52 30 50 1