REMARK Name = BDB037659 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.623 0.843 -2.671 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.611 0.311 -1.819 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -1.364 -0.162 -0.540 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.485 -0.987 -0.246 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.430 -0.861 -1.194 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 -0.059 0.173 0.105 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.043 -0.039 -0.943 0.00 0.00 +0.173 C ATOM 8 N LIG 1 -2.972 0.105 -2.026 0.00 0.00 -0.217 N ATOM 9 C LIG 1 0.716 0.787 -2.223 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.642 1.316 -2.852 0.00 0.00 -0.273 OA ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 2.366 0.401 -0.470 0.00 0.00 -0.287 N ATOM 12 H LIG 1 2.716 1.209 -0.974 0.00 0.00 +0.151 HD ATOM 13 C LIG 1 3.368 -0.512 -0.266 0.00 0.00 +0.303 C ATOM 14 N LIG 1 4.584 0.050 0.118 0.00 0.00 -0.285 N ATOM 15 C LIG 1 5.674 -0.894 0.382 0.00 0.00 +0.121 C ATOM 16 C LIG 1 7.048 -0.247 0.221 0.00 0.00 +0.110 C ATOM 17 C LIG 1 7.145 1.030 1.063 0.00 0.00 +0.015 C ATOM 18 C LIG 1 6.010 1.987 0.712 0.00 0.00 +0.020 C ATOM 19 C LIG 1 4.650 1.313 0.859 0.00 0.00 +0.109 C ATOM 20 O LIG 1 3.203 -1.718 -0.415 0.00 0.00 -0.253 OA BRANCH 16 21 ATOM 21 C LIG 1 8.127 -1.240 0.599 0.00 0.00 +0.394 C ATOM 22 F LIG 1 8.067 -2.348 -0.170 0.00 0.00 -0.170 F ATOM 23 F LIG 1 9.356 -0.702 0.436 0.00 0.00 -0.170 F ATOM 24 F LIG 1 8.018 -1.626 1.889 0.00 0.00 -0.170 F ENDBRANCH 16 21 ENDBRANCH 7 11 BRANCH 4 25 ATOM 25 C LIG 1 -2.689 -1.938 0.855 0.00 0.00 +0.268 C ATOM 26 N LIG 1 -3.585 -1.564 1.839 0.00 0.00 -0.280 N ATOM 27 C LIG 1 -3.801 -2.413 3.005 0.00 0.00 +0.179 C ATOM 28 C LIG 1 -4.396 -1.443 4.031 0.00 0.00 +0.039 C ATOM 29 C LIG 1 -5.180 -0.455 3.170 0.00 0.00 +0.022 C ATOM 30 C LIG 1 -4.308 -0.306 1.931 0.00 0.00 +0.109 C ATOM 31 O LIG 1 -2.090 -3.010 0.898 0.00 0.00 -0.268 OA BRANCH 27 32 ATOM 32 C LIG 1 -4.734 -3.527 2.722 0.00 0.00 +0.085 C ATOM 33 N LIG 1 -5.499 -4.380 2.533 0.00 0.00 -0.195 NA ENDBRANCH 27 32 ENDBRANCH 4 25 BRANCH 6 34 ATOM 34 C LIG 1 0.054 -0.526 1.442 0.00 0.00 -0.037 A ATOM 35 C LIG 1 0.613 -1.806 1.586 0.00 0.00 +0.007 A ATOM 36 C LIG 1 0.707 -2.409 2.843 0.00 0.00 +0.038 A ATOM 37 C LIG 1 0.244 -1.736 3.965 0.00 0.00 +0.123 A ATOM 38 F LIG 1 0.324 -2.318 5.169 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -0.309 -0.468 3.857 0.00 0.00 +0.038 A ATOM 40 C LIG 1 -0.404 0.135 2.602 0.00 0.00 +0.007 A ENDBRANCH 6 34 BRANCH 8 41 ATOM 41 C LIG 1 -3.917 0.822 -2.805 0.00 0.00 +0.067 A ATOM 42 C LIG 1 -3.739 2.183 -3.072 0.00 0.00 +0.028 A ATOM 43 C LIG 1 -4.695 2.880 -3.814 0.00 0.00 +0.002 A ATOM 44 C LIG 1 -5.839 2.227 -4.270 0.00 0.00 +0.000 A ATOM 45 C LIG 1 -6.041 0.880 -3.971 0.00 0.00 +0.002 A ATOM 46 C LIG 1 -5.089 0.179 -3.229 0.00 0.00 +0.028 A ENDBRANCH 8 41 BRANCH 1 48 ATOM 47 C LIG 1 -0.566 2.646 -4.418 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -0.811 1.178 -4.086 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 7