@MOLECULE A7T_342_3G6Z 84 89 0 0 0 SMALL USER_CHARGES @ATOM 1 C1 -3.3500 -10.7130 -7.3940 C.3 1 <0> -0.0395 2 C2 -10.6180 -8.8480 -6.3400 C.3 1 <0> -0.0396 3 C3 -5.5460 -12.5660 -7.3910 C.3 1 <0> -0.0392 4 C4 -2.7960 -12.5950 -10.6750 C.ar 1 <0> -0.0612 5 C5 -2.6240 -11.7060 -9.6130 C.ar 1 <0> -0.0586 6 C6 -3.8650 -13.4990 -10.6790 C.ar 1 <0> -0.0568 7 C7 -9.4900 -17.6670 -11.0130 C.ar 1 <0> -0.0519 8 C8 -7.8940 -17.6970 -9.1990 C.ar 1 <0> -0.0519 9 C9 -10.4970 -17.3120 -10.1300 C.ar 1 <0> -0.0311 10 C10 -8.9080 -17.3370 -8.3070 C.ar 1 <0> -0.0311 11 C11 -12.4380 -10.4440 -6.8730 C.ar 1 <0> -0.0379 12 C12 -10.1670 -11.0750 -7.4380 C.ar 1 <0> -0.0379 13 C13 -6.9970 -13.7070 -12.1650 C.3 1 <0> -0.0326 14 C14 -7.1820 -15.0560 -12.8490 C.3 1 <0> -0.0326 15 C15 -7.5300 -19.3980 -12.5040 C.3 1 <0> 0.0216 16 C16 -5.5460 -20.8770 -12.8170 C.3 1 <0> 0.0109 17 C17 -3.9340 -18.9970 -12.1030 C.3 1 <0> 0.0151 18 C18 -12.4270 -16.2250 -8.3530 C.3 1 <0> 0.0780 19 C19 -12.6610 -14.9330 -7.5880 C.3 1 <0> 0.0782 20 C20 -5.9410 -14.4040 -9.5210 C.3 1 <0> 0.0406 21 C21 -3.5250 -11.6840 -8.5470 C.ar 1 <0> -0.0472 22 C22 -11.0840 -10.1680 -6.9030 C.ar 1 <0> -0.0475 23 C23 -4.5810 -12.5780 -8.5480 C.ar 1 <0> -0.0429 24 C24 -8.1940 -17.8670 -10.5630 C.ar 1 <0> -0.0209 25 C25 -10.2060 -17.1460 -8.7780 C.ar 1 <0> 0.0763 26 C26 -4.7480 -13.4890 -9.6020 C.ar 1 <0> -0.0269 27 C27 -12.9410 -11.6330 -7.3690 C.ar 1 <0> 0.0726 28 C28 -10.5680 -12.2990 -7.9700 C.ar 1 <0> 0.0726 29 C29 -12.0100 -12.6340 -7.9500 C.ar 1 <0> 0.1128 30 C30 -7.4260 -14.9300 -11.3520 C.3 1 <0> 0.0268 31 C31 -6.4260 -19.8200 -13.4710 C.3 1 <0> 0.0230 32 C32 -4.9410 -18.0100 -12.6900 C.3 1 <0> 0.0496 33 C33 -7.1420 -18.2440 -11.5760 C.2 1 <0> -0.0210 34 C34 -5.9460 -17.5960 -11.6450 C.2 1 <0> 0.0709 35 C35 -5.5920 -16.5480 -10.6630 C.2 1 <0> 0.2490 36 N1 -4.5860 -20.2900 -11.8880 N.4 1 <0> 0.2352 37 N2 -5.6170 -18.6720 -13.8000 N.4 1 <0> 0.2425 38 N3 -6.2480 -15.3740 -10.5730 N.am 1 <0> -0.2902 39 O1 -4.6560 -16.7670 -9.8910 O.2 1 <0> -0.2701 40 O2 -11.1970 -16.7980 -7.9080 O.3 1 <0> -0.3424 41 O3 -12.4710 -13.8180 -8.4510 O.3 1 <0> -0.3395 42 Cl1 -14.7140 -11.9170 -7.3080 Cl 1 <0> -0.0808 43 Cl2 -9.3570 -13.4410 -8.6520 Cl 1 <0> -0.0808 44 H1 -3.8903 -9.7804 -7.6141 H 1 <0> 0.0278 45 H2 -3.7521 -11.1610 -6.4733 H 1 <0> 0.0278 46 H3 -2.2806 -10.4938 -7.2585 H 1 <0> 0.0278 47 H4 -10.3939 -8.9641 -5.2693 H 1 <0> 0.0278 48 H5 -9.7113 -8.5227 -6.8711 H 1 <0> 0.0278 49 H6 -11.4091 -8.0947 -6.4693 H 1 <0> 0.0278 50 H7 -6.3710 -11.8716 -7.6081 H 1 <0> 0.0278 51 H8 -5.9492 -13.5782 -7.2395 H 1 <0> 0.0278 52 H9 -5.0223 -12.2397 -6.4804 H 1 <0> 0.0278 53 H10 -2.0991 -12.5855 -11.5000 H 1 <0> 0.0618 54 H11 -1.7840 -11.0272 -9.6159 H 1 <0> 0.0620 55 H12 -4.0019 -14.1886 -11.4988 H 1 <0> 0.0621 56 H13 -9.7168 -17.7891 -12.0618 H 1 <0> 0.0624 57 H14 -6.8850 -17.8440 -8.8429 H 1 <0> 0.0624 58 H15 -11.5048 -17.1644 -10.4890 H 1 <0> 0.0643 59 H16 -8.6869 -17.2074 -7.2578 H 1 <0> 0.0643 60 H17 -13.1170 -9.7163 -6.4537 H 1 <0> 0.0636 61 H18 -9.1174 -10.8208 -7.4395 H 1 <0> 0.0636 62 H19 -6.1143 -13.0563 -12.0789 H 1 <0> 0.0284 63 H20 -7.4938 -12.7396 -12.3304 H 1 <0> 0.0284 64 H21 -7.8562 -15.3615 -13.6627 H 1 <0> 0.0284 65 H22 -6.4705 -15.6796 -13.4101 H 1 <0> 0.0284 66 H23 -8.3976 -19.0772 -13.0993 H 1 <0> 0.0370 67 H24 -7.7821 -20.2664 -11.8777 H 1 <0> 0.0370 68 H25 -6.1893 -21.5762 -12.2627 H 1 <0> 0.0870 69 H26 -4.9927 -21.4101 -13.6042 H 1 <0> 0.0870 70 H27 -3.0934 -19.1220 -12.8014 H 1 <0> 0.0874 71 H28 -3.5593 -18.6113 -11.1434 H 1 <0> 0.0874 72 H29 -13.2542 -16.9251 -8.1640 H 1 <0> 0.0588 73 H30 -12.3717 -16.0148 -9.4313 H 1 <0> 0.0588 74 H31 -13.6899 -14.9213 -7.1992 H 1 <0> 0.0588 75 H32 -11.9495 -14.8713 -6.7514 H 1 <0> 0.0588 76 H33 -5.7936 -14.9985 -8.6073 H 1 <0> 0.0514 77 H34 -6.8169 -13.7406 -9.4686 H 1 <0> 0.0514 78 H35 -8.2568 -15.2100 -10.6876 H 1 <0> 0.0501 79 H36 -6.8805 -20.2334 -14.3834 H 1 <0> 0.0907 80 H37 -4.4240 -17.1033 -13.0374 H 1 <0> 0.0959 81 H38 -5.0875 -20.1869 -11.0290 H 1 <0> 0.2018 82 H39 -3.8378 -20.9515 -11.8373 H 1 <0> 0.2018 83 H40 -4.9087 -18.9821 -14.4342 H 1 <0> 0.2027 84 H41 -6.2212 -17.9965 -14.2227 H 1 <0> 0.2027 @BOND 1 1 21 1 2 2 22 1 3 3 23 1 4 4 5 ar 5 4 6 ar 6 5 21 ar 7 6 26 ar 8 7 9 ar 9 7 24 ar 10 8 10 ar 11 8 24 ar 12 9 25 ar 13 10 25 ar 14 11 22 ar 15 11 27 ar 16 12 22 ar 17 12 28 ar 18 13 14 1 19 13 30 1 20 14 30 1 21 15 31 1 22 15 33 1 23 16 31 1 24 16 36 1 25 17 32 1 26 17 36 1 27 18 19 1 28 18 40 1 29 19 41 1 30 20 26 1 31 20 38 1 32 21 23 ar 33 23 26 ar 34 24 33 1 35 25 40 1 36 27 29 ar 37 27 42 1 38 28 29 ar 39 28 43 1 40 29 41 1 41 30 38 1 42 31 37 1 43 32 34 1 44 32 37 1 45 33 34 2 46 34 35 1 47 35 38 am 48 35 39 2 49 1 44 1 50 1 45 1 51 1 46 1 52 2 47 1 53 2 48 1 54 2 49 1 55 3 50 1 56 3 51 1 57 3 52 1 58 4 53 1 59 5 54 1 60 6 55 1 61 7 56 1 62 8 57 1 63 9 58 1 64 10 59 1 65 11 60 1 66 12 61 1 67 13 62 1 68 13 63 1 69 14 64 1 70 14 65 1 71 15 66 1 72 15 67 1 73 16 68 1 74 16 69 1 75 17 70 1 76 17 71 1 77 18 72 1 78 18 73 1 79 19 74 1 80 19 75 1 81 20 76 1 82 20 77 1 83 30 78 1 84 31 79 1 85 32 80 1 86 36 81 1 87 36 82 1 88 37 83 1 89 37 84 1