REMARK Name = BDB035183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.504 0.398 -0.142 0.00 0.00 +0.090 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.944 -0.965 0.342 0.00 0.00 +0.049 A ATOM 3 N LIG 1 -2.334 -1.144 0.501 0.00 0.00 -0.216 N ATOM 4 C LIG 1 -2.903 -2.342 0.942 0.00 0.00 +0.157 A ATOM 5 N LIG 1 -4.209 -2.228 1.004 0.00 0.00 -0.207 NA ATOM 6 C LIG 1 -4.437 -0.943 0.577 0.00 0.00 +0.189 A ATOM 7 C LIG 1 -2.034 -3.423 1.240 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -0.707 -3.266 1.090 0.00 0.00 +0.005 A ATOM 9 N LIG 1 -3.330 -0.247 0.286 0.00 0.00 -0.144 NA ATOM 10 C LIG 1 -0.137 -2.010 0.631 0.00 0.00 +0.024 A BRANCH 6 11 ATOM 11 C LIG 1 -5.771 -0.388 0.512 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -6.590 -0.327 1.637 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -7.848 0.185 1.560 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -8.261 0.636 0.369 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -7.552 0.627 -0.762 0.00 0.00 -0.201 NA ATOM 16 C LIG 1 -6.309 0.110 -0.665 0.00 0.00 +0.229 A BRANCH 12 17 ATOM 17 C LIG 1 -6.138 -0.820 3.002 0.00 0.00 +0.039 C ATOM 18 C LIG 1 -5.084 -0.053 3.772 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -6.504 -0.047 4.251 0.00 0.00 +0.010 C ENDBRANCH 12 17 BRANCH 16 20 ATOM 20 O LIG 1 -5.545 0.031 -1.816 0.00 0.00 -0.479 OA ATOM 21 C LIG 1 -6.139 0.660 -2.945 0.00 0.00 +0.279 C ENDBRANCH 16 20 ENDBRANCH 6 11 ENDBRANCH 1 2 BRANCH 1 25 ATOM 22 C LIG 1 3.792 0.995 -0.409 0.00 0.00 +0.094 A ATOM 23 C LIG 1 3.061 0.536 -1.512 0.00 0.00 +0.134 A ATOM 24 C LIG 1 1.678 0.332 -1.427 0.00 0.00 +0.050 A ATOM 25 C LIG 1 0.990 0.622 -0.241 0.00 0.00 -0.035 A ATOM 26 C LIG 1 1.714 1.093 0.861 0.00 0.00 +0.043 A ATOM 27 C LIG 1 3.095 1.273 0.769 0.00 0.00 +0.138 A ATOM 28 F LIG 1 3.753 1.697 1.860 0.00 0.00 -0.205 F BRANCH 22 30 ATOM 29 N LIG 1 6.182 0.367 0.073 0.00 0.00 -0.330 N ATOM 30 C LIG 1 5.235 1.201 -0.479 0.00 0.00 +0.148 A ATOM 31 N LIG 1 5.825 2.209 -1.096 0.00 0.00 -0.223 NA ATOM 32 C LIG 1 7.193 2.038 -0.934 0.00 0.00 +0.162 A ATOM 33 C LIG 1 7.419 0.889 -0.199 0.00 0.00 +0.120 A BRANCH 32 34 ATOM 34 C LIG 1 8.195 2.999 -1.502 0.00 0.00 +0.436 C ATOM 35 F LIG 1 7.966 3.281 -2.813 0.00 0.00 -0.164 F ATOM 36 F LIG 1 9.464 2.508 -1.432 0.00 0.00 -0.164 F ATOM 37 F LIG 1 8.207 4.185 -0.837 0.00 0.00 -0.164 F ENDBRANCH 32 34 BRANCH 29 39 ATOM 38 C LIG 1 5.826 -2.067 -0.113 0.00 0.00 +0.027 C ATOM 39 C LIG 1 5.951 -0.863 0.805 0.00 0.00 +0.120 C ENDBRANCH 29 39 ENDBRANCH 22 30 BRANCH 23 40 ATOM 40 O LIG 1 3.696 0.178 -2.675 0.00 0.00 -0.494 OA ATOM 41 C LIG 1 3.649 1.257 -3.612 0.00 0.00 +0.277 C ENDBRANCH 23 40 ENDBRANCH 1 25 TORSDOF 9