REMARK Name = BDB010915 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.780 -0.218 -1.297 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.547 0.841 -2.186 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.271 1.418 -2.327 0.00 0.00 +0.059 A ATOM 4 C LIG 1 1.209 0.930 -1.532 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -0.188 1.487 -1.627 0.00 0.00 +0.056 C ATOM 6 C LIG 1 -0.881 1.368 -0.275 0.00 0.00 +0.118 C ATOM 7 N LIG 1 -0.884 -0.012 0.215 0.00 0.00 -0.267 N ATOM 8 C LIG 1 0.315 -0.746 0.143 0.00 0.00 +0.251 C ATOM 9 O LIG 1 0.502 -1.859 0.627 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.434 -0.147 -0.654 0.00 0.00 +0.041 A ATOM 11 C LIG 1 2.712 -0.713 -0.542 0.00 0.00 +0.018 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.997 -0.446 1.012 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -3.311 -0.067 0.673 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -4.451 -0.451 1.419 0.00 0.00 -0.032 A ATOM 15 C LIG 1 -4.207 -1.247 2.554 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -2.921 -1.649 2.908 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -1.828 -1.255 2.138 0.00 0.00 +0.023 A BRANCH 14 18 ATOM 18 C LIG 1 -5.956 -0.046 1.007 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -6.717 0.842 2.053 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -7.247 1.735 0.914 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -8.699 1.550 0.505 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -6.184 1.117 -0.017 0.00 0.00 +0.022 C BRANCH 18 23 ATOM 23 C LIG 1 -6.758 -1.361 0.607 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -6.460 -2.251 -0.390 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.357 -2.220 -1.310 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -7.419 -3.216 -0.332 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -8.257 -2.944 0.639 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -7.835 -1.782 1.239 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 7 12 BRANCH 3 29 ATOM 29 C LIG 1 2.081 2.552 -3.311 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.155 2.772 -4.118 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.831 3.738 -2.690 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.027 2.343 -4.151 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 5.163 -0.827 -1.173 0.00 0.00 +0.119 C BRANCH 33 37 ATOM 34 C LIG 1 9.555 -1.516 0.135 0.00 0.00 +0.009 C ATOM 35 C LIG 1 8.183 -0.895 0.391 0.00 0.00 +0.000 C ATOM 36 C LIG 1 7.544 -0.396 -0.913 0.00 0.00 +0.088 C ATOM 37 N LIG 1 6.183 0.142 -0.742 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 5.918 0.637 0.621 0.00 0.00 +0.085 C ATOM 39 C LIG 1 7.154 1.265 1.258 0.00 0.00 +0.016 C ATOM 40 C LIG 1 8.285 0.248 1.412 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 6