@MOLECULE 125333 65 68 1 SMALL USER_CHARGES @ATOM 1 F1 -8.0773 -3.7785 0.6374 F 1 noname -0.1465 2 C1 -7.5301 -2.7228 1.1654 C.2 1 noname 0.0783 3 C2 -7.9730 -2.1750 2.4019 C.2 1 noname 0.0787 4 C3 -6.4424 -2.0338 0.5427 C.2 1 noname 0.0228 5 O1 -8.9966 -2.7636 3.0564 O.3 1 noname -0.2346 6 N1 -7.3801 -1.0579 2.9447 N.2 1 noname -0.2146 7 C4 -5.8253 -0.8701 1.1057 C.2 1 noname 0.0044 8 C5 -10.2235 -2.1902 2.6295 C.3 1 noname 0.0441 9 C6 -6.3350 -0.4006 2.3419 C.2 1 noname 0.0025 10 N2 -4.8109 -0.3158 0.3907 N.3 1 noname 0.0154 11 C7 -3.8572 0.6651 0.3312 C.2 1 noname 0.0633 12 N3 -3.2431 0.3708 -0.8657 N.2 1 noname -0.2455 13 C8 -3.3797 1.7776 1.1541 C.2 1 noname 0.0131 14 C9 -2.1695 1.0314 -1.3681 C.2 1 noname 0.0174 15 C10 -3.8657 2.3782 2.3945 C.2 1 noname 0.0827 16 C11 -2.2175 2.3868 0.6449 C.2 1 noname 0.0031 17 C12 -1.6314 2.0700 -0.6064 C.2 1 noname -0.0293 18 N4 -3.2866 3.5153 2.9484 N.2 1 noname -0.2172 19 N5 -4.8953 1.8380 3.0910 N.2 1 noname -0.2386 20 C13 -0.5894 2.9368 -1.1791 C.3 1 noname 0.0251 21 C14 -3.7047 4.0502 4.1358 C.2 1 noname 0.0964 22 C15 -5.3483 2.3366 4.2796 C.2 1 noname 0.0686 23 N6 -1.1669 4.0913 -1.9217 N.3 1 noname -0.2964 24 N7 -4.7348 3.4406 4.7852 N.2 1 noname -0.2274 25 N8 -3.1180 5.1420 4.6451 N.3 1 noname -0.0771 26 C16 -6.4579 1.7033 4.9863 C.3 1 noname 0.0696 27 C17 -0.1118 4.7446 -2.7697 C.3 1 noname 0.0120 28 C18 -2.1049 4.9454 -1.1060 C.3 1 noname 0.0120 29 C19 -0.2975 6.2911 -2.8889 C.3 1 noname 0.0199 30 C20 -1.4126 6.2134 -0.5535 C.3 1 noname 0.0199 31 N9 -0.7502 7.0042 -1.6399 N.3 1 noname -0.0604 32 C21 -0.5630 8.3241 -1.5038 C.2 1 noname -0.0331 33 O2 -0.9422 8.9052 -0.4640 O.2 1 noname -0.2910 34 N10 0.0306 9.0210 -2.4823 N.3 1 noname -0.0660 35 C22 0.2276 10.4098 -2.3390 C.3 1 noname -0.0048 36 C23 0.4584 8.3656 -3.6551 C.3 1 noname -0.0048 37 H1 -6.0655 -2.4138 -0.4068 H 1 noname 0.0672 38 H2 -10.8174 -1.9127 3.5004 H 1 noname 0.0535 39 H3 -10.0208 -1.3026 2.0302 H 1 noname 0.0535 40 H4 -10.7743 -2.9152 2.0302 H 1 noname 0.0535 41 H5 -5.9179 0.4772 2.8354 H 1 noname 0.0857 42 H6 -4.7328 -0.8650 -0.4533 H 1 noname 0.1358 43 H7 -1.7595 0.7419 -2.3357 H 1 noname 0.0843 44 H8 -1.7414 3.1520 1.2580 H 1 noname 0.0635 45 H9 -0.0476 3.3555 -0.3310 H 1 noname 0.0481 46 H10 -0.0638 2.3284 -1.9151 H 1 noname 0.0481 47 H11 -2.1264 5.1394 4.8370 H 1 noname 0.1273 48 H12 -3.6674 5.9675 4.8370 H 1 noname 0.1273 49 H13 -6.3020 1.7923 6.0614 H 1 noname 0.0312 50 H14 -7.3912 2.1954 4.7125 H 1 noname 0.0312 51 H15 -6.5089 0.6495 4.7125 H 1 noname 0.0312 52 H16 0.8260 4.5809 -2.2389 H 1 noname 0.0444 53 H17 -0.2510 4.3336 -3.7696 H 1 noname 0.0444 54 H18 -2.8728 5.2865 -1.8003 H 1 noname 0.0444 55 H19 -2.3808 4.3393 -0.2431 H 1 noname 0.0444 56 H20 0.6924 6.6984 -3.0947 H 1 noname 0.0449 57 H21 -1.1082 6.4431 -3.6015 H 1 noname 0.0449 58 H22 -2.1991 6.8564 -0.1586 H 1 noname 0.0449 59 H23 -0.6068 5.8752 0.0980 H 1 noname 0.0449 60 H24 0.2637 10.6644 -1.2798 H 1 noname 0.0399 61 H25 1.1668 10.6944 -2.8133 H 1 noname 0.0399 62 H26 -0.5955 10.9443 -2.8133 H 1 noname 0.0399 63 H27 0.4049 7.2868 -3.5085 H 1 noname 0.0399 64 H28 -0.1857 8.6516 -4.4866 H 1 noname 0.0399 65 H29 1.4865 8.6516 -3.8768 H 1 noname 0.0399 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 6 9 2 9 7 10 1 10 7 9 1 11 10 11 1 12 11 12 2 13 11 13 1 14 12 14 1 15 13 15 1 16 13 16 2 17 14 17 2 18 15 18 2 19 15 19 1 20 16 17 1 21 17 20 1 22 18 21 1 23 19 22 2 24 20 23 1 25 21 24 2 26 21 25 1 27 22 26 1 28 22 24 1 29 23 27 1 30 23 28 1 31 27 29 1 32 28 30 1 33 29 31 1 34 30 31 1 35 31 32 1 36 32 33 2 37 32 34 1 38 34 35 1 39 34 36 1 40 4 37 1 41 8 38 1 42 8 39 1 43 8 40 1 44 9 41 1 45 10 42 1 46 14 43 1 47 16 44 1 48 20 45 1 49 20 46 1 50 25 47 1 51 25 48 1 52 26 49 1 53 26 50 1 54 26 51 1 55 27 52 1 56 27 53 1 57 28 54 1 58 28 55 1 59 29 56 1 60 29 57 1 61 30 58 1 62 30 59 1 63 35 60 1 64 35 61 1 65 35 62 1 66 36 63 1 67 36 64 1 68 36 65 1 @SUBSTRUCTURE 1 noname 1