REMARK Name = BDB035724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.141 0.504 0.881 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.060 1.110 1.262 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.284 2.116 1.910 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.147 0.282 0.724 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.512 0.476 0.833 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.357 -0.462 0.227 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.796 -1.555 -0.477 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.403 -1.737 -0.580 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.591 -0.791 0.040 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.099 -0.709 0.106 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.894 0.667 1.024 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.579 0.246 0.737 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.454 0.963 1.179 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.680 2.130 1.916 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.977 2.568 2.202 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.079 1.843 1.760 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.101 -0.134 0.545 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -5.515 -1.354 3.383 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.181 -2.084 2.190 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.991 -1.586 0.925 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -4.668 -2.591 0.131 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -4.655 -3.745 0.876 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -4.963 -3.424 2.110 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.253 0.042 -0.980 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -5.660 1.452 -1.504 0.00 0.00 +0.008 C ATOM 26 C LIG 1 -7.131 0.974 -1.510 0.00 0.00 -0.013 C ATOM 27 C LIG 1 -7.991 1.447 -2.663 0.00 0.00 +0.007 C ATOM 28 C LIG 1 -6.587 -0.471 -1.600 0.00 0.00 +0.008 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.810 -2.900 -1.328 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.735 -3.721 -1.895 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.992 -2.498 -2.339 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.048 -3.690 -0.524 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.861 -0.297 0.295 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.382 0.124 -1.007 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.833 0.923 -1.325 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.833 0.370 -0.973 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.132 1.719 -0.260 0.00 0.00 +0.022 C ATOM 38 C LIG 1 9.033 2.083 -1.458 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.208 1.090 -2.304 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.682 -0.844 -0.641 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8