@MOLECULE FDBD01665 66 67 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.0126 0.4799 0.9494 C.3 1 UNK -0.0482 2 C1 -5.4987 0.2571 0.6147 C.3 1 UNK -0.0508 3 C2 -3.1752 0.4399 -0.3418 C.3 1 UNK -0.0126 4 C3 -6.3208 0.3105 1.9159 C.3 1 UNK -0.0295 5 C4 -16.9011 1.8896 -0.0225 C.ar 1 UNK -0.0590 6 C5 -16.2411 0.9215 -0.7830 C.ar 1 UNK -0.0430 7 C6 -16.1871 2.9716 0.4977 C.ar 1 UNK -0.0430 8 C7 2.9248 -0.2178 0.8759 C.ar 1 UNK -0.0525 9 C8 4.2051 -0.6835 1.1851 C.ar 1 UNK -0.0195 10 C9 -1.6817 0.3995 0.0296 C.3 1 UNK -0.0336 11 C10 -7.7638 -0.1548 1.6461 C.3 1 UNK 0.0478 12 C11 -9.8041 0.4010 0.6633 C.3 1 UNK 0.0710 13 C12 -10.5510 1.4451 -0.1860 C.3 1 UNK 0.0714 14 C13 3.8828 1.4524 -0.5840 C.ar 1 UNK -0.0471 15 C14 0.5190 0.1811 -0.9097 C.3 1 UNK -0.0028 16 C15 6.3801 1.6661 -0.9009 C.3 1 UNK 0.0727 17 C16 -12.6592 2.2521 -0.7781 C.3 1 UNK 0.0755 18 C17 2.7591 0.8502 -0.0104 C.ar 1 UNK -0.0135 19 C18 5.1647 0.9927 -0.2724 C.ar 1 UNK 0.0195 20 C19 -14.1557 2.1210 -0.5091 C.ar 1 UNK 0.0147 21 C20 -14.8699 1.0353 -1.0260 C.ar 1 UNK 0.0477 22 C21 -14.8159 3.0875 0.2561 C.ar 1 UNK 0.0477 23 C22 5.3262 -0.0780 0.6118 C.ar 1 UNK 0.1222 24 C23 1.3521 1.3480 -0.3410 C.3 1 UNK 0.1197 25 Cl -14.0581 -0.1893 -1.9784 Cl 1 UNK -0.0831 26 Cl1 -13.9356 4.4484 0.9184 Cl 1 UNK -0.0831 27 N -0.8638 0.6074 -1.1741 N.4 1 UNK 0.2291 28 O 6.9065 0.8270 -1.9319 O.3 1 UNK -0.3903 29 O1 6.5991 -0.5426 0.9221 O.3 1 UNK -0.5064 30 O2 0.7450 1.8412 0.8565 O.3 1 UNK -0.3819 31 O3 -8.4516 0.8204 0.8587 O.3 1 UNK -0.3775 32 O4 -11.9566 1.3069 0.0315 O.3 1 UNK -0.3728 33 H -3.6788 -0.2900 1.6132 H 1 UNK 0.0267 34 H1 -3.8953 1.4352 1.4169 H 1 UNK 0.0267 35 H2 -5.6223 -0.6995 0.1516 H 1 UNK 0.0266 36 H3 -5.8356 1.0192 -0.0566 H 1 UNK 0.0266 37 H4 -3.3758 1.3132 -0.9265 H 1 UNK 0.0317 38 H5 -3.4296 -0.4300 -0.9105 H 1 UNK 0.0317 39 H6 -6.3354 1.3147 2.2850 H 1 UNK 0.0287 40 H7 -5.8729 -0.3360 2.6414 H 1 UNK 0.0287 41 H8 -17.9143 1.8056 0.1547 H 1 UNK 0.0618 42 H9 -16.7673 0.1207 -1.1661 H 1 UNK 0.0632 43 H10 -16.6732 3.6865 1.0614 H 1 UNK 0.0632 44 H11 2.0983 -0.6640 1.3035 H 1 UNK 0.0622 45 H12 4.3228 -1.4748 1.8370 H 1 UNK 0.0654 46 H13 -1.4478 -0.5527 0.4580 H 1 UNK 0.0814 47 H14 -1.4724 1.1743 0.7373 H 1 UNK 0.0814 48 H15 -8.2749 -0.2832 2.5773 H 1 UNK 0.0560 49 H16 -7.7405 -1.0832 1.1146 H 1 UNK 0.0560 50 H17 -9.8150 -0.5424 0.1585 H 1 UNK 0.0583 51 H18 -10.2869 0.3045 1.6133 H 1 UNK 0.0583 52 H19 -10.3316 1.2878 -1.2214 H 1 UNK 0.0583 53 H20 -10.2380 2.4289 0.0954 H 1 UNK 0.0583 54 H21 3.7649 2.2399 -1.2404 H 1 UNK 0.0626 55 H22 0.5096 -0.6211 -0.2016 H 1 UNK 0.0843 56 H23 0.9611 -0.1397 -1.8298 H 1 UNK 0.0843 57 H24 7.1280 1.8239 -0.1522 H 1 UNK 0.0608 58 H25 6.0913 2.6079 -1.3186 H 1 UNK 0.0608 59 H26 -12.3364 3.2428 -0.5349 H 1 UNK 0.0611 60 H27 -12.4596 2.0617 -1.8119 H 1 UNK 0.0611 61 H28 1.3990 2.1313 -1.0684 H 1 UNK 0.0698 62 H29 -0.8724 1.5963 -1.4239 H 1 UNK 0.2014 63 H30 -1.2468 0.0579 -1.9434 H 1 UNK 0.2014 64 H31 7.1680 -0.0264 -1.5522 H 1 UNK 0.2098 65 H32 6.7042 -1.2604 1.5151 H 1 UNK 0.2921 66 H33 0.7034 1.1298 1.5146 H 1 UNK 0.2105 @BOND 1 2 1 1 2 1 3 1 3 4 2 1 4 6 5 ar 5 7 5 ar 6 8 9 ar 7 3 10 1 8 11 4 1 9 13 12 1 10 18 8 ar 11 18 14 ar 12 14 19 ar 13 19 16 1 14 17 20 1 15 21 6 ar 16 20 21 ar 17 22 7 ar 18 20 22 ar 19 9 23 ar 20 19 23 ar 21 15 24 1 22 24 18 1 23 24 30 1 24 21 25 1 25 22 26 1 26 10 27 1 27 27 15 1 28 16 28 1 29 23 29 1 30 31 11 1 31 12 31 1 32 32 13 1 33 32 17 1 34 1 33 1 35 1 34 1 36 2 35 1 37 2 36 1 38 3 37 1 39 3 38 1 40 4 39 1 41 4 40 1 42 5 41 1 43 6 42 1 44 7 43 1 45 8 44 1 46 9 45 1 47 10 46 1 48 10 47 1 49 11 48 1 50 11 49 1 51 12 50 1 52 12 51 1 53 13 52 1 54 13 53 1 55 14 54 1 56 15 55 1 57 15 56 1 58 16 57 1 59 16 58 1 60 17 59 1 61 17 60 1 62 24 61 1 63 27 62 1 64 27 63 1 65 28 64 1 66 29 65 1 67 30 66 1