REMARK Name = BDB035817 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.153 -1.007 -0.138 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.937 -1.883 -0.131 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.027 -3.053 0.192 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.096 -1.128 -0.624 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.398 -1.562 -0.791 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.337 -0.646 -1.284 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.929 0.678 -1.579 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.598 1.104 -1.402 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.689 0.167 -0.918 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.231 0.312 -0.626 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.840 -0.566 0.573 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.494 -0.332 0.191 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.482 -1.306 0.271 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.838 -2.563 0.762 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.149 -2.834 1.157 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.131 -1.850 1.062 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.236 1.968 1.506 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.314 0.461 1.166 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -4.941 0.592 0.427 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -4.707 1.856 1.327 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.137 0.950 -1.111 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.504 0.109 -2.127 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.800 -1.295 -2.055 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.525 0.870 -3.255 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -5.194 2.104 -2.958 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.946 2.155 -1.607 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -8.079 2.494 2.990 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -6.676 2.340 2.829 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.168 2.511 -1.718 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.176 3.309 -2.162 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.206 2.547 -2.681 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.635 3.141 -0.636 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.780 -1.053 -1.470 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.609 -0.476 -0.414 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 6.276 -0.825 0.487 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 8.009 -0.888 -0.576 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 C LIG 1 8.800 -0.217 0.519 0.00 0.00 +0.079 C ATOM 38 C LIG 1 9.114 -0.947 1.797 0.00 0.00 +0.039 C ATOM 39 C LIG 1 10.211 -0.639 0.814 0.00 0.00 +0.039 C BRANCH 37 40 ATOM 40 O LIG 1 8.526 1.188 0.670 0.00 0.00 -0.387 OA ATOM 41 H LIG 1 7.608 1.356 0.377 0.00 0.00 +0.210 HD ENDBRANCH 37 40 ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 10