@MOLECULE FDBD02274 45 46 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.7406 1.3581 -7.5479 C.1 1 UNK -0.1176 2 C1 1.2226 1.9563 -6.6807 C.1 1 UNK -0.0863 3 C2 0.5733 2.7064 -5.5933 C.3 1 UNK 0.0781 4 N 0.9639 2.1327 -4.3031 N.am 1 UNK -0.2652 5 C3 0.2771 1.0504 -3.5771 C.3 1 UNK 0.0941 6 C4 1.1133 0.8749 -2.3250 C.2 1 UNK 0.2430 7 O 0.9252 0.0865 -1.4234 O.2 1 UNK -0.2733 8 N1 2.1095 1.7772 -2.4227 N.am 1 UNK -0.1897 9 C5 3.1612 1.9541 -1.4182 C.3 1 UNK 0.1693 10 O1 4.1121 0.8611 -1.5154 O.3 1 UNK -0.4444 11 C6 5.0358 0.9416 -2.4859 C.2 1 UNK 0.3128 12 O2 5.0494 1.8937 -3.2297 O.2 1 UNK -0.2504 13 C7 6.0560 -0.1557 -2.6480 C.3 1 UNK 0.0689 14 C8 6.6265 -0.3888 -4.0484 C.3 1 UNK -0.0033 15 C9 8.0709 -0.8063 -4.1508 C.2 1 UNK -0.0809 16 C10 8.6571 -0.8555 -5.3213 C.2 1 UNK -0.0793 17 C11 7.8870 -0.4947 -6.5654 C.3 1 UNK -0.0440 18 C12 10.1014 -1.2730 -5.4236 C.3 1 UNK -0.0440 19 C13 5.6414 -1.3936 -3.4458 C.3 1 UNK -0.0144 20 C14 6.1987 -2.7449 -2.9937 C.3 1 UNK -0.0585 21 C15 4.2230 -1.4227 -4.0185 C.3 1 UNK -0.0585 22 C16 2.0229 2.4874 -3.5533 C.2 1 UNK 0.3149 23 O3 2.8087 3.3609 -3.8642 O.2 1 UNK -0.2519 24 H 2.1792 0.8516 -8.2822 H 1 UNK 0.1228 25 H1 -0.4893 2.6461 -5.7034 H 1 UNK 0.0602 26 H2 0.8787 3.7311 -5.6351 H 1 UNK 0.0602 27 H3 0.2629 0.1508 -4.1563 H 1 UNK 0.0561 28 H4 -0.7470 1.2765 -3.3650 H 1 UNK 0.0561 29 H5 2.7241 1.9608 -0.4416 H 1 UNK 0.0920 30 H6 3.6657 2.8820 -1.5896 H 1 UNK 0.0920 31 H7 6.4755 0.0145 -1.6785 H 1 UNK 0.0425 32 H8 6.6688 0.1807 -4.9533 H 1 UNK 0.0356 33 H9 8.5982 -1.0534 -3.2988 H 1 UNK 0.0575 34 H10 6.8859 -0.2260 -6.2998 H 1 UNK 0.0274 35 H11 7.8670 -1.3342 -7.2285 H 1 UNK 0.0274 36 H12 8.3613 0.3323 -7.0512 H 1 UNK 0.0274 37 H13 10.4802 -1.4893 -4.4466 H 1 UNK 0.0274 38 H14 10.6719 -0.4798 -5.8598 H 1 UNK 0.0274 39 H15 10.1776 -2.1463 -6.0371 H 1 UNK 0.0274 40 H16 7.1896 -2.6125 -2.6123 H 1 UNK 0.0235 41 H17 6.2237 -3.4169 -3.8260 H 1 UNK 0.0235 42 H18 5.5725 -3.1504 -2.2266 H 1 UNK 0.0235 43 H19 3.9324 -0.4327 -4.3018 H 1 UNK 0.0235 44 H20 3.5467 -1.7946 -3.2774 H 1 UNK 0.0235 45 H21 4.1979 -2.0611 -4.8768 H 1 UNK 0.0235 @BOND 1 1 2 3 2 2 3 1 3 3 4 1 4 4 22 am 5 4 5 1 6 5 6 1 7 6 7 2 8 6 8 am 9 8 9 1 10 8 22 am 11 9 10 1 12 10 11 1 13 11 12 2 14 11 13 1 15 13 19 1 16 13 14 1 17 14 15 1 18 14 19 1 19 15 16 2 20 16 17 1 21 16 18 1 22 19 20 1 23 19 21 1 24 22 23 2 25 1 24 1 26 3 25 1 27 3 26 1 28 5 27 1 29 5 28 1 30 9 29 1 31 9 30 1 32 13 31 1 33 14 32 1 34 15 33 1 35 17 34 1 36 17 35 1 37 17 36 1 38 18 37 1 39 18 38 1 40 18 39 1 41 20 40 1 42 20 41 1 43 20 42 1 44 21 43 1 45 21 44 1 46 21 45 1