@MOLECULE FDBD01913 55 57 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.8829 -3.7145 -1.2669 C.3 1 UNK 0.0087 2 N -1.6425 -4.8104 -0.3248 N.am 1 UNK -0.2680 3 C1 -1.3234 -4.5295 1.0091 C.ar 1 UNK 0.0724 4 C2 -2.3333 -4.4094 1.9541 C.ar 1 UNK -0.0374 5 C3 -2.0242 -4.1314 3.2735 C.ar 1 UNK -0.0591 6 C4 -0.7104 -3.9717 3.6613 C.ar 1 UNK -0.0467 7 C5 0.3153 -4.0900 2.7203 C.ar 1 UNK 0.0740 8 C6 0.0043 -4.3764 1.3886 C.ar 1 UNK 0.1567 9 F 0.9896 -4.4926 0.4716 F 1 UNK -0.2027 10 C7 1.7230 -3.9189 3.1326 C.2 1 UNK 0.2511 11 O 2.6138 -4.0224 2.3116 O.2 1 UNK -0.2698 12 N1 2.0203 -3.6482 4.4190 N.am 1 UNK -0.2800 13 C8 3.3559 -3.5898 4.8309 C.ar 1 UNK 0.0595 14 C9 3.7853 -4.3510 5.9102 C.ar 1 UNK 0.0774 15 C10 5.1046 -4.2915 6.3140 C.ar 1 UNK -0.0415 16 C11 5.9984 -3.4750 5.6452 C.ar 1 UNK 0.0085 17 C12 5.5747 -2.7153 4.5706 C.ar 1 UNK -0.0392 18 C13 4.2572 -2.7744 4.1575 C.ar 1 UNK 0.0400 19 Br 3.6784 -1.7355 2.6872 Br 1 UNK -0.0484 20 C14 7.4372 -3.4129 6.0891 C.3 1 UNK 0.3231 21 C15 8.2754 -2.7279 5.0079 C.3 1 UNK 0.4362 22 F1 7.9008 -1.3835 4.9094 F 1 UNK -0.1666 23 F2 9.6304 -2.8109 5.3458 F 1 UNK -0.1666 24 F3 8.0613 -3.3628 3.7798 F 1 UNK -0.1666 25 C16 7.5351 -2.6161 7.3916 C.3 1 UNK 0.4362 26 F4 6.7687 -3.2425 8.3802 F 1 UNK -0.1666 27 F5 8.8708 -2.5585 7.8036 F 1 UNK -0.1666 28 F6 7.0554 -1.3188 7.1818 F 1 UNK -0.1666 29 F7 7.9169 -4.7103 6.2989 F 1 UNK -0.2177 30 C17 2.8124 -5.2407 6.6402 C.3 1 UNK 0.4192 31 F8 3.4747 -5.9010 7.6807 F 1 UNK -0.1658 32 F9 1.7747 -4.4640 7.1665 F 1 UNK -0.1658 33 F10 2.2848 -6.1832 5.7511 F 1 UNK -0.1658 34 C18 -1.7284 -6.0890 -0.7422 C.2 1 UNK 0.2507 35 O1 -1.4411 -6.9960 0.0144 O.2 1 UNK -0.2696 36 C19 -2.1720 -6.3883 -2.1201 C.ar 1 UNK 0.0372 37 C20 -1.6942 -5.6306 -3.1906 C.ar 1 UNK -0.0496 38 C21 -2.1123 -5.9152 -4.4741 C.ar 1 UNK -0.0610 39 C22 -3.0036 -6.9489 -4.7014 C.ar 1 UNK -0.0617 40 C23 -3.4811 -7.7038 -3.6448 C.ar 1 UNK -0.0610 41 C24 -3.0662 -7.4337 -2.3571 C.ar 1 UNK -0.0496 42 H -0.9585 -3.4794 -1.7943 H 1 UNK 0.0433 43 H1 -2.6454 -4.0142 -1.9858 H 1 UNK 0.0433 44 H2 -2.2238 -2.8346 -0.7213 H 1 UNK 0.0433 45 H3 -3.3645 -4.5332 1.6579 H 1 UNK 0.0637 46 H4 -2.8152 -4.0388 4.0030 H 1 UNK 0.0618 47 H5 -0.4745 -3.7548 4.6927 H 1 UNK 0.0626 48 H6 1.3081 -3.4938 5.0592 H 1 UNK 0.1552 49 H7 5.4388 -4.8831 7.1535 H 1 UNK 0.0627 50 H8 6.2751 -2.0784 4.0506 H 1 UNK 0.0633 51 H9 -0.9990 -4.8231 -3.0144 H 1 UNK 0.0625 52 H10 -1.7434 -5.3298 -5.3033 H 1 UNK 0.0618 53 H11 -3.3283 -7.1671 -5.7080 H 1 UNK 0.0618 54 H12 -4.1769 -8.5090 -3.8290 H 1 UNK 0.0618 55 H13 -3.4397 -8.0237 -1.5332 H 1 UNK 0.0625 @BOND 1 1 2 1 2 1 42 1 3 1 43 1 4 1 44 1 5 2 3 1 6 2 34 am 7 3 8 ar 8 3 4 ar 9 4 5 ar 10 4 45 1 11 5 6 ar 12 5 46 1 13 6 7 ar 14 6 47 1 15 7 8 ar 16 7 10 1 17 8 9 1 18 10 11 2 19 10 12 am 20 12 13 1 21 12 48 1 22 13 18 ar 23 13 14 ar 24 14 15 ar 25 14 30 1 26 15 16 ar 27 15 49 1 28 16 17 ar 29 16 20 1 30 17 18 ar 31 17 50 1 32 18 19 1 33 20 21 1 34 20 25 1 35 20 29 1 36 21 22 1 37 21 23 1 38 21 24 1 39 25 26 1 40 25 27 1 41 25 28 1 42 30 31 1 43 30 32 1 44 30 33 1 45 34 35 2 46 34 36 1 47 36 41 ar 48 36 37 ar 49 37 38 ar 50 37 51 1 51 38 39 ar 52 38 52 1 53 39 40 ar 54 39 53 1 55 40 41 ar 56 40 54 1 57 41 55 1