REMARK Name = BDB016870 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.562 0.215 -0.666 0.00 0.00 -0.236 N ATOM 2 C LIG 1 0.640 0.390 0.512 0.00 0.00 +0.162 C ATOM 3 C LIG 1 -0.660 0.110 -0.121 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -0.534 -0.267 -1.419 0.00 0.00 +0.149 A ATOM 5 N LIG 1 -1.730 -0.545 -1.978 0.00 0.00 -0.227 NA ATOM 6 C LIG 1 -2.616 -0.333 -1.012 0.00 0.00 +0.114 A ATOM 7 N LIG 1 -1.991 0.123 0.156 0.00 0.00 -0.326 N ATOM 8 C LIG 1 0.850 -0.245 -1.821 0.00 0.00 +0.273 C ATOM 9 O LIG 1 1.265 -0.558 -2.925 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 18 ATOM 10 C LIG 1 5.430 2.139 1.748 0.00 0.00 +0.048 C ATOM 11 C LIG 1 4.819 1.466 0.547 0.00 0.00 -0.001 A ATOM 12 C LIG 1 5.582 1.111 -0.597 0.00 0.00 +0.181 A ATOM 13 N LIG 1 4.929 0.519 -1.654 0.00 0.00 -0.195 N ATOM 14 C LIG 1 5.897 0.306 -2.605 0.00 0.00 +0.152 A ATOM 15 N LIG 1 7.058 0.738 -2.151 0.00 0.00 -0.132 NA ATOM 16 C LIG 1 5.615 -0.318 -3.914 0.00 0.00 +0.090 C ATOM 17 N LIG 1 3.611 0.205 -1.739 0.00 0.00 -0.148 NA ATOM 18 C LIG 1 2.915 0.511 -0.690 0.00 0.00 +0.150 A ATOM 19 N LIG 1 6.858 1.246 -0.886 0.00 0.00 -0.128 NA ATOM 20 C LIG 1 3.502 1.183 0.516 0.00 0.00 +0.053 A ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 0.972 -0.576 1.643 0.00 0.00 -0.021 A ATOM 22 C LIG 1 1.143 -0.097 2.954 0.00 0.00 +0.007 A ATOM 23 C LIG 1 1.447 -0.971 4.001 0.00 0.00 +0.020 A ATOM 24 C LIG 1 1.581 -2.334 3.751 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 1.949 -3.408 5.043 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 1.415 -2.830 2.462 0.00 0.00 +0.020 A ATOM 27 C LIG 1 1.113 -1.957 1.413 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 -4.101 -0.549 -1.163 0.00 0.00 +0.059 C ATOM 29 C LIG 1 -4.407 -1.730 -2.094 0.00 0.00 +0.039 C ATOM 30 C LIG 1 -5.909 -1.865 -2.297 0.00 0.00 +0.160 C ATOM 31 O LIG 1 -6.467 -0.652 -2.801 0.00 0.00 -0.380 OA ATOM 32 C LIG 1 -6.269 0.452 -1.922 0.00 0.00 +0.160 C ATOM 33 C LIG 1 -4.786 0.714 -1.696 0.00 0.00 +0.039 C ENDBRANCH 6 28 BRANCH 7 34 ATOM 34 C LIG 1 -2.668 0.532 1.382 0.00 0.00 +0.083 C ATOM 35 C LIG 1 -2.120 1.829 1.977 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -2.706 -0.596 2.410 0.00 0.00 +0.030 C ENDBRANCH 7 34 TORSDOF 4