REMARK Name = BDB027487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.390 -0.202 1.072 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.488 -1.115 0.463 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.101 -2.258 -0.092 0.00 0.00 +0.134 A ATOM 4 N LIG 1 1.429 -2.534 -0.102 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 2.263 -1.637 0.472 0.00 0.00 +0.071 A ATOM 6 C LIG 1 1.774 -0.470 1.058 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 3.701 -1.979 0.433 0.00 0.00 +0.003 A ATOM 8 C LIG 1 4.594 -1.576 1.448 0.00 0.00 +0.051 A ATOM 9 C LIG 1 5.946 -1.913 1.385 0.00 0.00 +0.159 A ATOM 10 F LIG 1 6.765 -1.517 2.370 0.00 0.00 -0.202 F ATOM 11 C LIG 1 6.441 -2.654 0.320 0.00 0.00 +0.158 A ATOM 12 F LIG 1 7.741 -2.978 0.266 0.00 0.00 -0.202 F ATOM 13 C LIG 1 5.590 -3.069 -0.696 0.00 0.00 +0.042 A ATOM 14 C LIG 1 4.231 -2.736 -0.635 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 -1.880 -0.886 0.475 0.00 0.00 -0.322 N ATOM 16 C LIG 1 -2.618 -1.195 -0.805 0.00 0.00 +0.116 C ATOM 17 C LIG 1 -4.155 -1.006 -0.562 0.00 0.00 +0.073 C ATOM 18 C LIG 1 -4.643 -2.020 0.492 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -3.527 -2.523 1.410 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -2.491 -1.446 1.712 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 N LIG 1 -4.482 0.372 -0.134 0.00 0.00 -0.326 NA ATOM 22 H LIG 1 -5.453 0.419 0.174 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 -3.899 0.613 0.668 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 16 24 ATOM 24 C LIG 1 -2.140 -0.311 -1.982 0.00 0.00 +0.189 C BRANCH 24 25 ATOM 25 O LIG 1 -2.808 -0.713 -3.181 0.00 0.00 -0.320 OA BRANCH 25 26 ATOM 26 C LIG 1 -2.443 0.124 -4.262 0.00 0.00 +0.483 C ATOM 27 F LIG 1 -1.146 -0.117 -4.568 0.00 0.00 -0.178 F ATOM 28 F LIG 1 -3.179 -0.252 -5.336 0.00 0.00 -0.178 F ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 16 24 ENDBRANCH 2 15 BRANCH 1 29 ATOM 29 C LIG 1 -0.087 1.079 1.714 0.00 0.00 +0.161 C BRANCH 29 34 ATOM 30 C LIG 1 1.536 4.987 -0.647 0.00 0.00 +0.147 A ATOM 31 C LIG 1 0.618 3.981 -0.292 0.00 0.00 +0.147 A ATOM 32 N LIG 1 -0.688 3.733 -0.674 0.00 0.00 -0.231 NA ATOM 33 C LIG 1 -1.042 2.670 0.019 0.00 0.00 +0.202 A ATOM 34 N LIG 1 -0.018 2.201 0.800 0.00 0.00 -0.310 N ATOM 35 C LIG 1 1.045 3.050 0.643 0.00 0.00 +0.166 A ATOM 36 N LIG 1 2.238 3.006 1.264 0.00 0.00 -0.216 NA ATOM 37 C LIG 1 3.023 4.030 0.865 0.00 0.00 +0.225 A ATOM 38 N LIG 1 2.742 5.006 -0.028 0.00 0.00 -0.219 NA BRANCH 30 39 ATOM 39 N LIG 1 1.246 5.988 -1.567 0.00 0.00 -0.341 N ATOM 40 H LIG 1 0.251 6.102 -1.735 0.00 0.00 +0.144 HD ATOM 41 H LIG 1 1.794 6.823 -1.399 0.00 0.00 +0.144 HD ENDBRANCH 30 39 ENDBRANCH 29 34 ENDBRANCH 1 29 TORSDOF 9