REMARK Name = BDB009386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.545 1.835 1.521 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -2.049 2.897 2.263 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.508 3.235 3.442 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -3.105 3.655 1.769 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.671 3.337 0.531 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.192 2.248 -0.217 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.111 1.505 0.283 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 4.704 1.131 -0.405 0.00 0.00 +0.247 C ATOM 9 N LIG 1 3.421 1.044 0.127 0.00 0.00 -0.295 N ATOM 10 C LIG 1 2.647 2.280 0.251 0.00 0.00 +0.127 C ATOM 11 C LIG 1 1.138 2.023 0.347 0.00 0.00 +0.127 C ATOM 12 N LIG 1 0.788 1.069 1.410 0.00 0.00 -0.294 N ATOM 13 C LIG 1 -0.440 1.031 2.064 0.00 0.00 +0.249 C ATOM 14 O LIG 1 -0.664 0.333 3.048 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 1.865 0.211 1.907 0.00 0.00 +0.127 C ATOM 16 C LIG 1 2.886 -0.141 0.816 0.00 0.00 +0.127 C ATOM 17 O LIG 1 5.233 2.196 -0.714 0.00 0.00 -0.270 OA BRANCH 8 21 ATOM 18 C LIG 1 7.015 -2.421 -1.005 0.00 0.00 +0.120 A ATOM 19 C LIG 1 5.732 -2.319 -1.555 0.00 0.00 +0.046 A ATOM 20 C LIG 1 4.966 -1.166 -1.369 0.00 0.00 +0.016 A ATOM 21 C LIG 1 5.481 -0.112 -0.611 0.00 0.00 +0.037 A ATOM 22 C LIG 1 6.772 -0.195 -0.080 0.00 0.00 +0.016 A ATOM 23 C LIG 1 7.534 -1.353 -0.270 0.00 0.00 +0.046 A BRANCH 18 25 ATOM 24 C LIG 1 8.960 -3.760 -0.732 0.00 0.00 +0.277 C ATOM 25 O LIG 1 7.650 -3.605 -1.262 0.00 0.00 -0.495 OA ENDBRANCH 18 25 ENDBRANCH 8 21 ENDBRANCH 1 13 BRANCH 6 26 ATOM 26 C LIG 1 -3.807 1.925 -1.561 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 -4.037 0.437 -1.798 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -5.124 -0.269 -1.034 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -5.942 0.395 -0.131 0.00 0.00 -0.342 N ATOM 30 H LIG 1 -5.984 1.405 -0.213 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 -7.140 -0.238 0.405 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -6.846 -1.708 0.695 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -6.277 -2.417 -0.542 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -5.251 -1.586 -1.264 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -4.378 -2.264 -2.246 0.00 0.00 +0.270 A ATOM 36 O LIG 1 -4.490 -3.460 -2.494 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -3.445 -1.476 -2.866 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -2.837 -1.926 -3.542 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -3.254 -0.145 -2.659 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5