REMARK Name = BDB040143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.635 0.143 0.216 0.00 0.00 -0.043 A ATOM 2 C LIG 1 3.875 1.259 -0.623 0.00 0.00 +0.016 A ATOM 3 C LIG 1 2.828 1.945 -1.270 0.00 0.00 +0.060 A ATOM 4 C LIG 1 1.534 1.482 -1.058 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.236 1.989 -1.597 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.752 1.088 -1.018 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.145 0.127 -0.202 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.616 -0.781 0.457 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.300 0.386 -0.238 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.317 -0.297 0.405 0.00 0.00 +0.017 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 7.049 -1.751 0.428 0.00 0.00 -0.011 C ATOM 12 C LIG 1 5.655 -1.352 -0.110 0.00 0.00 +0.011 C ATOM 13 C LIG 1 4.776 -0.591 0.906 0.00 0.00 +0.019 C ATOM 14 C LIG 1 5.614 0.335 1.798 0.00 0.00 +0.008 C ATOM 15 C LIG 1 6.679 -0.432 2.585 0.00 0.00 +0.001 C ATOM 16 C LIG 1 7.051 -1.778 1.962 0.00 0.00 +0.003 C BRANCH 11 18 ATOM 17 C LIG 1 9.559 -1.239 0.230 0.00 0.00 +0.004 C ATOM 18 C LIG 1 8.145 -0.846 -0.176 0.00 0.00 +0.000 C ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 19 ATOM 19 C LIG 1 -2.142 1.214 -1.293 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -3.086 0.318 -0.765 0.00 0.00 +0.027 A ATOM 21 C LIG 1 -4.478 0.405 -1.021 0.00 0.00 -0.039 A ATOM 22 C LIG 1 -4.893 1.475 -1.832 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -3.981 2.380 -2.373 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -2.618 2.247 -2.108 0.00 0.00 +0.023 A BRANCH 21 25 ATOM 25 C LIG 1 -5.529 -0.669 -0.369 0.00 0.00 +0.013 C ATOM 26 C LIG 1 -6.779 -1.042 -1.253 0.00 0.00 +0.087 C ATOM 27 C LIG 1 -5.963 -2.220 -1.825 0.00 0.00 +0.251 C ATOM 28 F LIG 1 -5.294 -1.952 -2.970 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -6.660 -3.356 -2.045 0.00 0.00 -0.206 F ATOM 30 C LIG 1 -5.120 -2.183 -0.534 0.00 0.00 +0.087 C BRANCH 25 31 ATOM 31 C LIG 1 -5.807 -0.196 1.076 0.00 0.00 +0.088 C BRANCH 31 32 ATOM 32 C LIG 1 -6.908 -0.901 1.790 0.00 0.00 +0.134 A ATOM 33 N LIG 1 -8.146 -0.374 2.060 0.00 0.00 -0.320 N ATOM 34 C LIG 1 -8.639 0.933 1.718 0.00 0.00 +0.151 C ATOM 35 C LIG 1 -8.837 -1.341 2.720 0.00 0.00 +0.224 A ATOM 36 N LIG 1 -8.079 -2.402 2.857 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -6.864 -2.123 2.281 0.00 0.00 -0.135 NA ENDBRANCH 31 32 ENDBRANCH 25 31 ENDBRANCH 21 25 ENDBRANCH 6 19 BRANCH 3 38 ATOM 38 C LIG 1 3.090 3.130 -2.161 0.00 0.00 +0.418 C ATOM 39 F LIG 1 2.436 4.246 -1.735 0.00 0.00 -0.166 F ATOM 40 F LIG 1 4.402 3.473 -2.253 0.00 0.00 -0.166 F ATOM 41 F LIG 1 2.663 2.918 -3.437 0.00 0.00 -0.166 F ENDBRANCH 3 38 TORSDOF 7