D01IVR AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.132 -1.893 2.184 1.00 0.00 C HETATM 2 C UNL 1 3.007 -2.649 2.980 1.00 0.00 C HETATM 3 C UNL 1 2.515 -3.677 3.775 1.00 0.00 C HETATM 4 C UNL 1 1.178 -4.044 3.675 1.00 0.00 C HETATM 5 C UNL 1 0.350 -3.399 2.734 1.00 0.00 C HETATM 6 C UNL 1 0.809 -2.300 1.987 1.00 0.00 C HETATM 7 CL UNL 1 3.554 -4.441 4.915 1.00 0.00 Cl HETATM 8 O UNL 1 -0.097 -1.700 1.138 1.00 0.00 O HETATM 9 C UNL 1 0.362 -0.750 0.153 1.00 0.00 C HETATM 10 C UNL 1 -0.743 0.239 -0.361 1.00 0.00 C HETATM 11 N UNL 1 -0.933 0.562 -1.728 1.00 0.00 N HETATM 12 O UNL 1 -1.402 0.838 0.503 1.00 0.00 O HETATM 13 C UNL 1 -0.316 -0.078 -2.890 1.00 0.00 C HETATM 14 C UNL 1 -1.075 0.180 -4.278 1.00 0.00 C HETATM 15 N UNL 1 -1.541 1.553 -4.585 1.00 0.00 N HETATM 16 C UNL 1 -2.009 2.274 -3.404 1.00 0.00 C HETATM 17 C UNL 1 -1.410 1.926 -1.991 1.00 0.00 C HETATM 18 C UNL 1 -1.979 2.045 -5.995 1.00 0.00 C HETATM 19 C UNL 1 -1.246 1.300 -7.106 1.00 0.00 C HETATM 20 C UNL 1 -3.574 2.204 -6.372 1.00 0.00 C HETATM 21 N UNL 1 -4.244 3.239 -5.895 1.00 0.00 N HETATM 22 C UNL 1 -5.461 2.819 -5.283 1.00 0.00 C HETATM 23 C UNL 1 -5.350 1.542 -4.687 1.00 0.00 C HETATM 24 C UNL 1 -4.572 0.581 -5.517 1.00 0.00 C HETATM 25 N UNL 1 -4.266 1.086 -6.793 1.00 0.00 N HETATM 26 C UNL 1 -6.721 3.392 -5.312 1.00 0.00 C HETATM 27 C UNL 1 -7.714 2.848 -4.482 1.00 0.00 C HETATM 28 C UNL 1 -7.406 1.828 -3.563 1.00 0.00 C HETATM 29 C UNL 1 -6.213 1.134 -3.687 1.00 0.00 C HETATM 30 C UNL 1 -5.560 1.183 -7.656 1.00 0.00 C HETATM 31 C UNL 1 -6.068 2.258 -8.451 1.00 0.00 C HETATM 32 C UNL 1 -7.464 2.326 -8.755 1.00 0.00 C HETATM 33 C UNL 1 -8.337 1.295 -8.420 1.00 0.00 C HETATM 34 C UNL 1 -7.808 0.144 -7.865 1.00 0.00 C HETATM 35 C UNL 1 -6.446 0.085 -7.520 1.00 0.00 C HETATM 36 O UNL 1 -5.288 3.307 -8.886 1.00 0.00 O HETATM 37 C UNL 1 -5.393 3.524 -10.316 1.00 0.00 C HETATM 38 C UNL 1 -4.352 4.555 -10.725 1.00 0.00 C HETATM 39 O UNL 1 -4.196 -0.502 -5.090 1.00 0.00 O HETATM 40 H UNL 1 2.522 -0.977 1.761 1.00 0.00 H HETATM 41 H UNL 1 4.068 -2.412 2.986 1.00 0.00 H HETATM 42 H UNL 1 0.781 -4.832 4.312 1.00 0.00 H HETATM 43 H UNL 1 -0.666 -3.764 2.603 1.00 0.00 H HETATM 44 H UNL 1 0.866 -1.275 -0.659 1.00 0.00 H HETATM 45 H UNL 1 1.085 -0.070 0.624 1.00 0.00 H HETATM 46 H UNL 1 -0.257 -1.157 -2.697 1.00 0.00 H HETATM 47 H UNL 1 0.717 0.291 -2.951 1.00 0.00 H HETATM 48 H UNL 1 -1.925 -0.506 -4.296 1.00 0.00 H HETATM 49 H UNL 1 -0.368 -0.156 -5.043 1.00 0.00 H HETATM 50 H UNL 1 -3.089 2.160 -3.315 1.00 0.00 H HETATM 51 H UNL 1 -1.809 3.342 -3.555 1.00 0.00 H HETATM 52 H UNL 1 -0.540 2.572 -1.805 1.00 0.00 H HETATM 53 H UNL 1 -2.158 2.191 -1.236 1.00 0.00 H HETATM 54 H UNL 1 -1.610 3.081 -6.026 1.00 0.00 H HETATM 55 H UNL 1 -1.292 0.213 -6.987 1.00 0.00 H HETATM 56 H UNL 1 -0.190 1.595 -7.124 1.00 0.00 H HETATM 57 H UNL 1 -1.672 1.527 -8.088 1.00 0.00 H HETATM 58 H UNL 1 -6.959 4.181 -6.018 1.00 0.00 H HETATM 59 H UNL 1 -8.735 3.217 -4.537 1.00 0.00 H HETATM 60 H UNL 1 -8.132 1.515 -2.819 1.00 0.00 H HETATM 61 H UNL 1 -5.972 0.267 -3.084 1.00 0.00 H HETATM 62 H UNL 1 -7.900 3.215 -9.216 1.00 0.00 H HETATM 63 H UNL 1 -9.410 1.383 -8.596 1.00 0.00 H HETATM 64 H UNL 1 -8.462 -0.698 -7.641 1.00 0.00 H HETATM 65 H UNL 1 -6.098 -0.834 -7.056 1.00 0.00 H HETATM 66 H UNL 1 -6.382 3.894 -10.627 1.00 0.00 H HETATM 67 H UNL 1 -5.196 2.583 -10.845 1.00 0.00 H HETATM 68 H UNL 1 -4.747 5.570 -10.603 1.00 0.00 H HETATM 69 H UNL 1 -4.069 4.438 -11.776 1.00 0.00 H HETATM 70 H UNL 1 -3.458 4.474 -10.100 1.00 0.00 H CONECT 1 2 6 40 CONECT 2 1 3 41 CONECT 3 2 4 7 CONECT 4 3 5 42 CONECT 5 4 6 43 CONECT 6 5 1 8 CONECT 7 3 CONECT 8 6 9 CONECT 9 8 10 44 45 CONECT 10 9 11 12 CONECT 11 10 13 17 CONECT 12 10 CONECT 13 11 14 46 47 CONECT 14 13 15 48 49 CONECT 15 14 16 18 CONECT 16 15 17 50 51 CONECT 17 16 11 52 53 CONECT 18 15 19 20 54 CONECT 19 18 55 56 57 CONECT 20 18 21 25 CONECT 21 20 22 CONECT 22 21 23 26 CONECT 23 22 24 29 CONECT 24 23 25 39 CONECT 25 24 20 30 CONECT 26 22 27 58 CONECT 27 26 28 59 CONECT 28 27 29 60 CONECT 29 28 23 61 CONECT 30 25 31 35 CONECT 31 30 32 36 CONECT 32 31 33 62 CONECT 33 32 34 63 CONECT 34 33 35 64 CONECT 35 34 30 65 CONECT 36 31 37 CONECT 37 36 38 66 67 CONECT 38 37 68 69 70 CONECT 39 24 CONECT 40 1 CONECT 41 2 CONECT 42 4 CONECT 43 5 CONECT 44 9 CONECT 45 9 CONECT 46 13 CONECT 47 13 CONECT 48 14 CONECT 49 14 CONECT 50 16 CONECT 51 16 CONECT 52 17 CONECT 53 17 CONECT 54 18 CONECT 55 19 CONECT 56 19 CONECT 57 19 CONECT 58 26 CONECT 59 27 CONECT 60 28 CONECT 61 29 CONECT 62 32 CONECT 63 33 CONECT 64 34 CONECT 65 35 CONECT 66 37 CONECT 67 37 CONECT 68 38 CONECT 69 38 CONECT 70 38 MASTER 0 0 0 0 0 0 0 0 70 0 70 0 END M END $$$$