@MOLECULE FDBD00032 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5771 1.7039 0.6395 O.3 1 UNK -0.3828 2 O1 3.7723 -0.2458 -1.5605 O.3 1 UNK -0.3864 3 O2 5.7180 1.2430 -0.2447 O.3 1 UNK -0.3869 4 O3 5.5145 0.0984 2.2992 O.3 1 UNK -0.3924 5 O4 -4.6591 1.6319 1.0671 O.2 1 UNK -0.2119 6 O5 -1.5992 4.6697 -0.5235 O.2 1 UNK -0.1976 7 N -0.3946 0.1687 -0.6768 N.ar 1 UNK -0.1715 8 N1 -2.9293 -0.3520 0.4768 N.ar 1 UNK -0.2245 9 N2 -1.0056 2.4739 -0.6013 N.am 1 UNK -0.1701 10 N3 -3.1235 3.1865 0.2663 N.am 1 UNK -0.0933 11 C 1.9687 0.5944 -0.1701 C.3 1 UNK 0.1424 12 C1 0.9205 0.4004 -1.2722 C.3 1 UNK 0.1812 13 C2 3.3813 0.8488 -0.7328 C.3 1 UNK 0.1149 14 C3 4.4430 1.0385 0.3673 C.3 1 UNK 0.1066 15 C4 -0.7744 -1.1628 -0.3984 C.ar 1 UNK 0.2351 16 C5 -1.2594 1.2169 -0.3852 C.ar 1 UNK 0.3187 17 C6 -2.0408 -1.3962 0.1756 C.ar 1 UNK 0.1364 18 C7 0.0439 -2.2771 -0.6628 C.ar 1 UNK 0.0151 19 C8 -2.5894 0.8705 0.2258 C.ar 1 UNK 0.2673 20 C9 4.5400 -0.1709 1.2962 C.3 1 UNK 0.0727 21 C10 -0.3785 -3.5763 -0.3690 C.ar 1 UNK -0.0412 22 C11 -2.4555 -2.7049 0.4666 C.ar 1 UNK -0.0267 23 C12 -1.6286 -3.7907 0.1958 C.ar 1 UNK -0.0451 24 C13 -3.5852 1.9285 0.5726 C.2 1 UNK 0.4440 25 C14 0.5333 -4.7204 -0.6716 C.3 1 UNK -0.0392 26 C15 -2.1039 -5.1680 0.5210 C.3 1 UNK -0.0394 27 C16 -1.8857 3.4912 -0.3009 C.2 1 UNK 0.4904 28 H 0.6884 1.5469 0.9952 H 1 UNK 0.2102 29 H1 3.1111 -0.3759 -2.2582 H 1 UNK 0.2100 30 H2 5.6726 2.0087 -0.8384 H 1 UNK 0.2100 31 H3 5.5843 -0.6638 2.8951 H 1 UNK 0.2095 32 H4 -0.1379 2.7117 -1.0011 H 1 UNK 0.1667 33 H5 -3.7217 3.9426 0.4656 H 1 UNK 0.4523 34 H6 2.0147 -0.3085 0.4023 H 1 UNK 0.0684 35 H7 0.8829 1.2776 -1.8838 H 1 UNK 0.1059 36 H8 1.1902 -0.4464 -1.8681 H 1 UNK 0.1059 37 H9 3.3286 1.7584 -1.2939 H 1 UNK 0.0648 38 H10 4.1507 1.8846 0.9534 H 1 UNK 0.0643 39 H11 0.9754 -2.1315 -1.0825 H 1 UNK 0.0687 40 H12 3.5902 -0.3485 1.7559 H 1 UNK 0.0584 41 H13 4.8239 -1.0376 0.7366 H 1 UNK 0.0584 42 H14 -3.3848 -2.8639 0.8864 H 1 UNK 0.0644 43 H15 1.4410 -4.3495 -1.0998 H 1 UNK 0.0278 44 H16 0.0569 -5.3827 -1.3639 H 1 UNK 0.0278 45 H17 0.7550 -5.2485 0.2322 H 1 UNK 0.0278 46 H18 -1.3507 -5.8783 0.2507 H 1 UNK 0.0278 47 H19 -3.0008 -5.3740 -0.0250 H 1 UNK 0.0278 48 H20 -2.3009 -5.2389 1.5703 H 1 UNK 0.0278 @BOND 1 1 11 1 2 2 13 1 3 3 14 1 4 4 20 1 5 5 24 2 6 6 27 2 7 7 12 1 8 7 15 ar 9 7 16 ar 10 8 17 ar 11 8 19 ar 12 9 16 1 13 9 27 am 14 10 24 am 15 10 27 am 16 11 12 1 17 11 13 1 18 13 14 1 19 14 20 1 20 15 17 ar 21 15 18 ar 22 16 19 ar 23 17 22 ar 24 18 21 ar 25 19 24 1 26 21 23 ar 27 21 25 1 28 22 23 ar 29 23 26 1 30 1 28 1 31 2 29 1 32 3 30 1 33 4 31 1 34 9 32 1 35 10 33 1 36 11 34 1 37 12 35 1 38 12 36 1 39 13 37 1 40 14 38 1 41 18 39 1 42 20 40 1 43 20 41 1 44 22 42 1 45 25 43 1 46 25 44 1 47 25 45 1 48 26 46 1 49 26 47 1 50 26 48 1