REMARK Name = BDB026703 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.360 3.395 -0.070 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -1.019 3.130 -0.381 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -0.568 1.802 -0.347 0.00 0.00 +0.090 A ATOM 4 N LIG 1 0.688 1.327 -0.585 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 0.624 0.014 -0.438 0.00 0.00 +0.120 A ATOM 6 N LIG 1 -0.666 -0.385 -0.086 0.00 0.00 -0.296 N ATOM 7 C LIG 1 -1.445 0.769 -0.040 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -2.789 1.017 0.287 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -3.229 2.346 0.251 0.00 0.00 +0.015 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.134 -1.702 0.172 0.00 0.00 +0.049 A ATOM 11 C LIG 1 -2.337 -2.136 -0.401 0.00 0.00 +0.031 A ATOM 12 C LIG 1 -2.815 -3.426 -0.138 0.00 0.00 -0.024 A ATOM 13 C LIG 1 -4.041 -3.958 -0.828 0.00 0.00 +0.046 C ATOM 14 C LIG 1 -4.742 -5.002 0.024 0.00 0.00 +0.101 C ATOM 15 C LIG 1 -3.778 -6.029 0.572 0.00 0.00 +0.218 C ATOM 16 N LIG 1 -2.543 -5.569 0.945 0.00 0.00 -0.285 N ATOM 17 H LIG 1 -1.958 -6.237 1.430 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -4.103 -7.197 0.770 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -2.080 -4.275 0.695 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -0.878 -3.851 1.261 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -0.408 -2.559 1.007 0.00 0.00 +0.028 A ENDBRANCH 6 10 BRANCH 1 25 ATOM 22 C LIG 1 -2.460 7.163 0.275 0.00 0.00 +0.128 C ATOM 23 N LIG 1 -2.006 5.800 0.157 0.00 0.00 -0.314 N ATOM 24 H LIG 1 -1.104 5.571 0.551 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 -2.905 4.781 -0.087 0.00 0.00 +0.244 C ATOM 26 O LIG 1 -4.101 4.967 -0.278 0.00 0.00 -0.270 OA ENDBRANCH 1 25 BRANCH 5 27 ATOM 27 C LIG 1 1.751 -0.916 -0.797 0.00 0.00 +0.113 C BRANCH 27 28 ATOM 28 C LIG 1 3.091 -0.469 -0.249 0.00 0.00 +0.002 A ATOM 29 C LIG 1 4.050 0.143 -1.066 0.00 0.00 +0.124 A ATOM 30 C LIG 1 5.292 0.529 -0.554 0.00 0.00 +0.058 A ATOM 31 C LIG 1 5.584 0.355 0.806 0.00 0.00 +0.058 A ATOM 32 C LIG 1 4.620 -0.239 1.633 0.00 0.00 +0.013 A ATOM 33 C LIG 1 3.388 -0.645 1.112 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 6.927 0.762 1.356 0.00 0.00 +0.418 C ATOM 35 F LIG 1 7.853 -0.230 1.250 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.461 1.843 0.720 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.885 1.095 2.677 0.00 0.00 -0.166 F ENDBRANCH 31 34 BRANCH 29 38 ATOM 38 O LIG 1 3.795 0.298 -2.404 0.00 0.00 -0.495 OA ATOM 39 C LIG 1 3.606 1.678 -2.725 0.00 0.00 +0.277 C ENDBRANCH 29 38 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 6