REMARK Name = BDB020136 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.141 -0.272 -1.273 0.00 0.00 +0.073 A ATOM 2 C LIG 1 -0.267 0.694 -0.271 0.00 0.00 +0.143 A ATOM 3 F LIG 1 0.828 1.278 0.246 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -1.522 1.076 0.230 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -2.665 0.451 -0.289 0.00 0.00 +0.016 A ATOM 6 C LIG 1 -2.569 -0.523 -1.295 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -1.300 -0.880 -1.777 0.00 0.00 +0.021 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -1.643 2.082 1.293 0.00 0.00 +0.015 A ATOM 9 C LIG 1 -1.501 3.466 1.079 0.00 0.00 +0.151 A ATOM 10 N LIG 1 -1.605 4.375 2.101 0.00 0.00 -0.250 NA ATOM 11 C LIG 1 -1.864 3.916 3.342 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -2.029 2.579 3.640 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -1.917 1.658 2.604 0.00 0.00 +0.012 A BRANCH 9 14 ATOM 14 C LIG 1 -1.229 4.010 -0.320 0.00 0.00 +0.435 C ATOM 15 F LIG 1 -2.118 3.558 -1.254 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -1.283 5.372 -0.407 0.00 0.00 -0.164 F ATOM 17 F LIG 1 0.006 3.670 -0.795 0.00 0.00 -0.164 F ENDBRANCH 9 14 ENDBRANCH 4 8 BRANCH 1 20 ATOM 18 N LIG 1 2.292 -0.015 -1.415 0.00 0.00 -0.303 N ATOM 19 H LIG 1 2.202 0.649 -0.654 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 1.174 -0.696 -1.834 0.00 0.00 +0.247 C ATOM 21 O LIG 1 1.219 -1.619 -2.642 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 3.641 -0.406 -1.813 0.00 0.00 +0.119 C ATOM 23 C LIG 1 3.917 -0.090 -3.286 0.00 0.00 +0.034 C BRANCH 22 30 ATOM 24 C LIG 1 7.237 -0.943 1.474 0.00 0.00 +0.068 C ATOM 25 C LIG 1 6.388 -0.018 0.656 0.00 0.00 +0.074 A ATOM 26 C LIG 1 6.564 1.356 0.752 0.00 0.00 +0.144 A ATOM 27 F LIG 1 7.488 1.877 1.571 0.00 0.00 -0.204 F ATOM 28 C LIG 1 5.770 2.197 -0.010 0.00 0.00 +0.042 A ATOM 29 C LIG 1 4.814 1.640 -0.856 0.00 0.00 +0.028 A ATOM 30 C LIG 1 4.684 0.249 -0.914 0.00 0.00 +0.062 A ATOM 31 N LIG 1 5.460 -0.578 -0.163 0.00 0.00 -0.252 NA ENDBRANCH 22 30 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 6 32 ATOM 32 C LIG 1 -3.814 -1.210 -1.813 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 N LIG 1 -4.172 -2.330 -0.971 0.00 0.00 -0.313 N ATOM 34 C LIG 1 -5.050 -2.235 0.111 0.00 0.00 +0.204 A ATOM 35 N LIG 1 -5.676 -1.184 0.506 0.00 0.00 -0.268 NA ATOM 36 H LIG 1 -6.247 -1.427 1.316 0.00 0.00 +0.190 HD ATOM 37 N LIG 1 -5.074 -3.527 0.648 0.00 0.00 -0.320 N ATOM 38 C LIG 1 -5.810 -3.922 1.822 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -4.215 -4.346 -0.073 0.00 0.00 +0.106 A ATOM 40 C LIG 1 -3.668 -3.620 -1.058 0.00 0.00 +0.107 A ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7