@MOLECULE FDBD02923 48 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.0314 1.9320 1.2909 C.2 1 UNK -0.1026 2 C1 -1.5943 0.7399 0.9683 C.2 1 UNK -0.0910 3 C2 -2.5359 -0.4367 0.9806 C.3 1 UNK -0.0319 4 C3 -2.5098 -1.1250 -0.3856 C.3 1 UNK -0.0151 5 C4 -3.4657 -2.3196 -0.3732 C.3 1 UNK 0.0928 6 O -3.4410 -2.9728 -1.6697 O.3 1 UNK -0.4633 7 C5 -4.2304 -4.0471 -1.8259 C.2 1 UNK 0.3281 8 O1 -4.9192 -4.4291 -0.9097 O.2 1 UNK -0.2487 9 C6 -4.2575 -4.7770 -3.1441 C.3 1 UNK 0.1289 10 C7 -2.8591 -5.3117 -3.4599 C.3 1 UNK -0.0265 11 C8 -2.8766 -6.0140 -4.8191 C.3 1 UNK -0.0631 12 N -5.2012 -5.8947 -3.0642 N.am 1 UNK -0.2217 13 C9 -5.0156 -6.9392 -2.0539 C.3 1 UNK 0.0792 14 C10 -4.3014 -8.1139 -2.6711 C.ar 1 UNK 0.1223 15 C11 -2.9779 -8.3476 -2.6156 C.ar 1 UNK -0.0191 16 C12 -2.7442 -9.5496 -3.3222 C.ar 1 UNK -0.0236 17 C13 -3.9389 -9.9786 -3.7673 C.ar 1 UNK 0.0921 18 O2 -4.8791 -9.1081 -3.3650 O.2 1 UNK -0.4662 19 C14 -6.2400 -5.9620 -3.9201 C.2 1 UNK 0.4907 20 O3 -6.9992 -6.9097 -3.8806 O.2 1 UNK -0.1975 21 N1 -6.4367 -4.9780 -4.8199 N.am 1 UNK -0.0734 22 C15 -5.4658 -4.3115 -5.5294 C.2 1 UNK 0.1942 23 C16 -6.0988 -3.4163 -6.3080 C.2 1 UNK 0.0968 24 N2 -7.4188 -3.5248 -6.0880 N.2 1 UNK -0.1960 25 C17 -7.6365 -4.4580 -5.2045 C.2 1 UNK 0.2699 26 H -1.3866 2.7377 1.2825 H 1 UNK 0.0532 27 H1 -3.0205 2.0653 1.5534 H 1 UNK 0.0532 28 H2 -0.6052 0.6065 0.7058 H 1 UNK 0.0566 29 H3 -3.5287 -0.0969 1.1899 H 1 UNK 0.0308 30 H4 -2.2299 -1.1306 1.7355 H 1 UNK 0.0308 31 H5 -1.5170 -1.4648 -0.5949 H 1 UNK 0.0301 32 H6 -2.8159 -0.4311 -1.1404 H 1 UNK 0.0301 33 H7 -4.4585 -1.9798 -0.1639 H 1 UNK 0.0697 34 H8 -3.1596 -3.0135 0.3816 H 1 UNK 0.0697 35 H9 -4.5654 -4.1049 -3.9176 H 1 UNK 0.0618 36 H10 -2.5639 -6.0076 -2.7026 H 1 UNK 0.0286 37 H11 -2.1641 -4.4986 -3.4875 H 1 UNK 0.0286 38 H12 -3.5716 -6.8271 -4.7915 H 1 UNK 0.0230 39 H13 -1.8987 -6.3879 -5.0400 H 1 UNK 0.0230 40 H14 -3.1718 -5.3181 -5.5764 H 1 UNK 0.0230 41 H15 -5.9701 -7.2546 -1.6874 H 1 UNK 0.0547 42 H16 -4.4326 -6.5526 -1.2442 H 1 UNK 0.0547 43 H17 -2.2691 -7.7619 -2.1471 H 1 UNK 0.0652 44 H18 -1.8321 -10.0096 -3.4685 H 1 UNK 0.0649 45 H19 -4.1048 -10.8319 -4.3235 H 1 UNK 0.1029 46 H20 -4.4472 -4.4681 -5.4749 H 1 UNK 0.1392 47 H21 -5.6473 -2.7585 -6.9626 H 1 UNK 0.0892 48 H22 -8.5615 -4.7534 -4.8550 H 1 UNK 0.1618 @BOND 1 1 2 2 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 9 12 1 11 10 11 1 12 12 13 1 13 12 19 am 14 13 14 1 15 14 18 ar 16 14 15 ar 17 15 16 ar 18 16 17 ar 19 17 18 ar 20 19 20 2 21 19 21 am 22 21 25 1 23 21 22 1 24 22 23 2 25 23 24 1 26 24 25 2 27 1 26 1 28 1 27 1 29 2 28 1 30 3 29 1 31 3 30 1 32 4 31 1 33 4 32 1 34 5 33 1 35 5 34 1 36 9 35 1 37 10 36 1 38 10 37 1 39 11 38 1 40 11 39 1 41 11 40 1 42 13 41 1 43 13 42 1 44 15 43 1 45 16 44 1 46 17 45 1 47 22 46 1 48 23 47 1 49 25 48 1