@MOLECULE FDBD00621 45 49 0 0 0 SMALL USER_CHARGES @ATOM 1 O 5.9836 0.8222 0.1157 O.3 1 UNK -0.4574 2 O1 -0.4916 3.9113 -0.3458 O.2 1 UNK -0.2915 3 O2 4.9311 -1.1179 -0.3004 O.2 1 UNK -0.2449 4 N 2.6620 3.2129 1.1588 N.4 1 UNK 0.2451 5 N1 9.4012 -1.7415 0.3053 N.ar 1 UNK -0.3598 6 C 2.4543 1.7487 1.1605 C.3 1 UNK -0.0161 7 C1 3.4405 3.6252 -0.0315 C.3 1 UNK -0.0161 8 C2 1.3591 2.5393 -0.9732 C.3 1 UNK 0.0329 9 C3 1.6900 1.3026 -0.1103 C.3 1 UNK 0.0004 10 C4 2.6942 3.2286 -1.3293 C.3 1 UNK 0.0004 11 C5 3.8127 1.0244 1.2389 C.3 1 UNK 0.0277 12 C6 4.8306 2.9566 -0.0042 C.3 1 UNK 0.0277 13 C7 4.6826 1.4230 0.0281 C.3 1 UNK 0.1136 14 C8 1.3464 3.8846 1.1808 C.3 1 UNK 0.0285 15 C9 0.6204 3.4897 -0.0751 C.2 1 UNK 0.1809 16 C10 5.9606 -0.5054 -0.0604 C.2 1 UNK 0.3415 17 C11 7.2588 -1.2711 0.0384 C.ar 1 UNK 0.0839 18 C12 7.4255 -2.6451 -0.1155 C.ar 1 UNK 0.0136 19 C13 8.5166 -0.7210 0.3031 C.ar 1 UNK 0.0167 20 C14 8.7776 -2.9076 0.0574 C.ar 1 UNK 0.0473 21 C15 6.5060 -3.6583 -0.3887 C.ar 1 UNK -0.0518 22 C16 9.2872 -4.2033 -0.0339 C.ar 1 UNK -0.0378 23 C17 7.0093 -4.9608 -0.4818 C.ar 1 UNK -0.0611 24 C18 8.3739 -5.2280 -0.3076 C.ar 1 UNK -0.0598 25 H 3.1930 3.4830 1.9867 H 1 UNK 0.2044 26 H1 10.3678 -1.6455 0.4659 H 1 UNK 0.1654 27 H2 1.8674 1.4907 2.0172 H 1 UNK 0.0853 28 H3 3.5576 4.6886 -0.0134 H 1 UNK 0.0853 29 H4 0.8039 2.2762 -1.8492 H 1 UNK 0.0383 30 H5 0.7821 0.8124 0.1733 H 1 UNK 0.0327 31 H6 2.2992 0.6273 -0.6740 H 1 UNK 0.0327 32 H7 3.3017 2.5551 -1.8970 H 1 UNK 0.0327 33 H8 2.4958 4.1076 -1.9062 H 1 UNK 0.0327 34 H9 3.6532 -0.0336 1.2299 H 1 UNK 0.0356 35 H10 4.3126 1.3036 2.1428 H 1 UNK 0.0356 36 H11 5.3609 3.2790 0.8674 H 1 UNK 0.0356 37 H12 5.3704 3.2369 -0.8845 H 1 UNK 0.0356 38 H13 4.2071 1.0777 -0.8661 H 1 UNK 0.0738 39 H14 1.4779 4.9461 1.2091 H 1 UNK 0.0896 40 H15 0.7886 3.5957 2.0470 H 1 UNK 0.0896 41 H16 8.7288 0.2757 0.4659 H 1 UNK 0.0815 42 H17 5.5019 -3.4567 -0.5161 H 1 UNK 0.0624 43 H18 10.2926 -4.3974 0.0946 H 1 UNK 0.0638 44 H19 6.3629 -5.7398 -0.6827 H 1 UNK 0.0618 45 H20 8.7123 -6.2001 -0.3826 H 1 UNK 0.0618 @BOND 1 1 13 1 2 16 1 1 3 15 2 2 4 16 3 2 5 6 4 1 6 7 4 1 7 4 14 1 8 19 5 ar 9 5 20 ar 10 6 9 1 11 11 6 1 12 7 10 1 13 12 7 1 14 9 8 1 15 10 8 1 16 8 15 1 17 13 11 1 18 13 12 1 19 14 15 1 20 17 16 1 21 17 18 ar 22 17 19 ar 23 18 20 ar 24 18 21 ar 25 20 22 ar 26 21 23 ar 27 22 24 ar 28 23 24 ar 29 4 25 1 30 5 26 1 31 6 27 1 32 7 28 1 33 8 29 1 34 9 30 1 35 9 31 1 36 10 32 1 37 10 33 1 38 11 34 1 39 11 35 1 40 12 36 1 41 12 37 1 42 13 38 1 43 14 39 1 44 14 40 1 45 19 41 1 46 21 42 1 47 22 43 1 48 23 44 1 49 24 45 1