REMARK Name = BDB040134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.421 -0.146 0.981 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.280 0.629 1.222 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.158 1.790 1.567 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.883 -0.234 0.979 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.227 0.072 1.083 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.159 -0.937 0.793 0.00 0.00 -0.032 A ATOM 7 C LIG 1 2.701 -2.221 0.414 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.328 -2.517 0.311 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.430 -1.493 0.604 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -1.063 -1.501 0.586 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -5.200 -0.245 0.913 0.00 0.00 -0.033 A ATOM 12 C LIG 1 -3.834 -0.606 0.813 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.775 0.279 1.098 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -3.107 1.575 1.494 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.440 1.973 1.600 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.465 1.076 1.313 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -6.382 -1.274 0.564 0.00 0.00 +0.062 C ATOM 18 C LIG 1 -6.229 -2.720 1.106 0.00 0.00 +0.175 C ATOM 19 O LIG 1 -7.599 -2.734 1.566 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -7.650 -1.286 1.461 0.00 0.00 +0.175 C BRANCH 17 21 ATOM 21 C LIG 1 -6.692 -1.287 -0.938 0.00 0.00 +0.159 C BRANCH 21 25 ATOM 22 C LIG 1 -9.388 2.667 -1.678 0.00 0.00 +0.067 C ATOM 23 C LIG 1 -8.234 1.745 -1.796 0.00 0.00 +0.060 A ATOM 24 N LIG 1 -8.231 0.576 -1.143 0.00 0.00 -0.176 NA ATOM 25 N LIG 1 -7.054 0.017 -1.476 0.00 0.00 -0.270 N ATOM 26 C LIG 1 -6.314 0.784 -2.328 0.00 0.00 +0.108 A ATOM 27 C LIG 1 -7.054 1.920 -2.554 0.00 0.00 +0.044 A ENDBRANCH 21 25 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 0.838 -3.881 -0.093 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.833 -4.761 -0.385 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.041 -3.833 -1.197 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.085 -4.465 0.878 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 4.646 -0.654 0.903 0.00 0.00 +0.120 C BRANCH 32 33 ATOM 33 N LIG 1 5.091 0.460 0.045 0.00 0.00 -0.293 NA ATOM 34 C LIG 1 6.497 0.839 0.382 0.00 0.00 +0.074 C ATOM 35 C LIG 1 7.562 0.463 -0.701 0.00 0.00 +0.103 C ATOM 36 N LIG 1 7.306 -0.884 -1.233 0.00 0.00 -0.303 NA ATOM 37 C LIG 1 8.380 -1.336 -2.111 0.00 0.00 +0.105 C ATOM 38 C LIG 1 6.000 -0.916 -1.918 0.00 0.00 +0.099 C ATOM 39 C LIG 1 4.980 0.124 -1.389 0.00 0.00 +0.100 C BRANCH 34 40 ATOM 40 C LIG 1 6.595 2.342 0.781 0.00 0.00 +0.001 C ATOM 41 C LIG 1 5.821 2.626 2.075 0.00 0.00 +0.009 C ATOM 42 C LIG 1 6.127 3.313 -0.308 0.00 0.00 +0.009 C ENDBRANCH 34 40 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8