@MOLECULE FDBD03232 45 48 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.1701 1.6034 0.5702 C.ar 1 UNK -0.0617 2 C1 0.3542 0.9201 -0.6172 C.ar 1 UNK -0.0613 3 C2 1.5002 0.1725 -0.8140 C.ar 1 UNK -0.0512 4 C3 2.4623 0.1086 0.1765 C.ar 1 UNK 0.0353 5 C4 2.2786 0.7927 1.3636 C.ar 1 UNK -0.0512 6 C5 1.1320 1.5391 1.5609 C.ar 1 UNK -0.0613 7 C6 3.7112 -0.7071 -0.0376 C.3 1 UNK 0.2729 8 C7 4.6672 -0.4709 1.1031 C.ar 1 UNK 0.0353 9 C8 4.9637 -1.4973 1.9803 C.ar 1 UNK -0.0512 10 C9 5.8407 -1.2806 3.0267 C.ar 1 UNK -0.0613 11 C10 6.4215 -0.0376 3.1956 C.ar 1 UNK -0.0617 12 C11 6.1256 0.9886 2.3179 C.ar 1 UNK -0.0613 13 C12 5.2520 0.7707 1.2690 C.ar 1 UNK -0.0512 14 C13 3.3519 -2.1695 -0.0972 C.ar 1 UNK 0.0358 15 C14 2.0568 -2.5745 0.1677 C.ar 1 UNK -0.0512 16 C15 1.7273 -3.9156 0.1129 C.ar 1 UNK -0.0607 17 C16 2.6927 -4.8522 -0.2072 C.ar 1 UNK -0.0501 18 C17 3.9872 -4.4472 -0.4729 C.ar 1 UNK 0.0553 19 C18 4.3158 -3.1052 -0.4223 C.ar 1 UNK -0.0396 20 C19 5.0396 -5.4680 -0.8214 C.3 1 UNK 0.4174 21 F 4.4706 -6.7461 -0.8124 F 1 UNK -0.1659 22 F1 5.5514 -5.1943 -2.0943 F 1 UNK -0.1659 23 F2 6.0737 -5.4114 0.1192 F 1 UNK -0.1659 24 N 4.3451 -0.3082 -1.2966 N.ar 1 UNK -0.0533 25 C20 4.5409 0.9463 -1.7381 C.ar 1 UNK 0.2741 26 N1 5.1375 0.8792 -2.9005 N.ar 1 UNK -0.2927 27 C21 5.3381 -0.3955 -3.2327 C.ar 1 UNK 0.1651 28 N2 4.8746 -1.1604 -2.2794 N.ar 1 UNK 0.0151 29 H -0.6854 2.1615 0.7171 H 1 UNK 0.0618 30 H1 -0.3639 0.9681 -1.3568 H 1 UNK 0.0618 31 H2 1.6375 -0.3379 -1.7004 H 1 UNK 0.0623 32 H3 2.9975 0.7462 2.1025 H 1 UNK 0.0623 33 H4 0.9941 2.0484 2.4478 H 1 UNK 0.0618 34 H5 4.5303 -2.4254 1.8540 H 1 UNK 0.0623 35 H6 6.0618 -2.0468 3.6818 H 1 UNK 0.0618 36 H7 7.0760 0.1243 3.9769 H 1 UNK 0.0618 37 H8 6.5569 1.9174 2.4457 H 1 UNK 0.0618 38 H9 5.0364 1.5349 0.6098 H 1 UNK 0.0623 39 H10 1.3361 -1.8754 0.4063 H 1 UNK 0.0623 40 H11 0.7607 -4.2179 0.3109 H 1 UNK 0.0618 41 H12 2.4467 -5.8536 -0.2477 H 1 UNK 0.0623 42 H13 5.2808 -2.8021 -0.6273 H 1 UNK 0.0628 43 H14 4.2682 1.8114 -1.2460 H 1 UNK 0.1624 44 H15 5.3991 1.6545 -3.4479 H 1 UNK 0.1720 45 H16 5.7866 -0.7254 -4.1016 H 1 UNK 0.1090 @BOND 1 1 6 ar 2 1 2 ar 3 2 3 ar 4 3 4 ar 5 4 5 ar 6 4 7 1 7 5 6 ar 8 7 8 1 9 7 14 1 10 7 24 1 11 8 13 ar 12 8 9 ar 13 9 10 ar 14 10 11 ar 15 11 12 ar 16 12 13 ar 17 14 19 ar 18 14 15 ar 19 15 16 ar 20 16 17 ar 21 17 18 ar 22 18 19 ar 23 18 20 1 24 20 21 1 25 20 22 1 26 20 23 1 27 24 28 ar 28 24 25 ar 29 25 26 ar 30 26 27 ar 31 27 28 ar 32 1 29 1 33 2 30 1 34 3 31 1 35 5 32 1 36 6 33 1 37 9 34 1 38 10 35 1 39 11 36 1 40 12 37 1 41 13 38 1 42 15 39 1 43 16 40 1 44 17 41 1 45 19 42 1 46 25 43 1 47 26 44 1 48 27 45 1