REMARK Name = BDB011927 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.793 0.468 -1.163 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.277 -0.418 -0.994 0.00 0.00 -0.284 N ATOM 3 C LIG 1 -0.611 -1.025 0.329 0.00 0.00 +0.193 C ATOM 4 C LIG 1 -1.222 -2.421 0.246 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -1.912 -2.842 -0.905 0.00 0.00 -0.038 A ATOM 6 C LIG 1 -2.531 -4.097 -0.932 0.00 0.00 +0.042 A ATOM 7 C LIG 1 -2.441 -4.933 0.175 0.00 0.00 +0.124 A ATOM 8 C LIG 1 -1.754 -4.540 1.316 0.00 0.00 +0.039 A ATOM 9 F LIG 1 -3.030 -6.136 0.141 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -1.987 -1.914 -2.081 0.00 0.00 +0.054 C ATOM 11 C LIG 1 -1.148 -3.283 1.354 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -0.675 -1.148 -2.205 0.00 0.00 +0.113 C ATOM 13 O LIG 1 1.267 0.667 -2.290 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 14 ATOM 14 C LIG 1 -1.573 -0.100 1.133 0.00 0.00 +0.242 C ATOM 15 N LIG 1 -2.446 0.603 0.321 0.00 0.00 -0.279 N ATOM 16 H LIG 1 -2.193 0.630 -0.663 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 -1.557 -0.086 2.360 0.00 0.00 -0.273 OA BRANCH 15 18 ATOM 18 C LIG 1 -3.538 1.421 0.687 0.00 0.00 +0.105 A ATOM 19 C LIG 1 -4.071 2.225 -0.331 0.00 0.00 +0.147 A ATOM 20 F LIG 1 -3.526 2.173 -1.558 0.00 0.00 -0.203 F ATOM 21 C LIG 1 -5.142 3.089 -0.112 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -5.719 3.157 1.152 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -5.223 2.350 2.175 0.00 0.00 +0.040 A ATOM 24 C LIG 1 -4.146 1.488 1.942 0.00 0.00 +0.147 A ATOM 25 F LIG 1 -3.777 0.699 2.957 0.00 0.00 -0.203 F ENDBRANCH 15 18 ENDBRANCH 3 14 BRANCH 1 26 ATOM 26 C LIG 1 1.440 1.186 0.056 0.00 0.00 +0.162 C BRANCH 26 28 ATOM 27 C LIG 1 3.371 -0.274 0.614 0.00 0.00 +0.230 C ATOM 28 N LIG 1 2.867 0.846 -0.015 0.00 0.00 -0.302 N ATOM 29 H LIG 1 3.336 1.126 -0.870 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 2.708 -0.960 1.389 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 31 C LIG 1 4.832 -0.604 0.239 0.00 0.00 +0.137 C ATOM 32 C LIG 1 4.841 -1.367 -1.083 0.00 0.00 +0.034 C BRANCH 31 34 ATOM 33 C LIG 1 5.807 -0.661 2.463 0.00 0.00 +0.101 C ATOM 34 N LIG 1 5.467 -1.441 1.278 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 4.785 -2.155 1.553 0.00 0.00 +0.122 HD ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 26 28 BRANCH 26 36 ATOM 36 C LIG 1 1.263 2.726 0.046 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -0.187 3.131 0.305 0.00 0.00 +0.009 C ATOM 38 C LIG 1 1.769 3.434 -1.216 0.00 0.00 +0.009 C ENDBRANCH 26 36 ENDBRANCH 1 26 TORSDOF 7