REMARK Name = BDB036025 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.827 1.484 0.583 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.217 0.234 0.729 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.667 -0.895 0.663 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.203 0.479 1.010 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.212 -0.443 1.218 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.504 0.043 1.459 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.729 1.442 1.489 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.689 2.367 1.279 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.419 1.851 1.037 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.132 2.564 0.775 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.487 0.895 -0.204 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.113 0.687 0.080 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.199 1.731 0.295 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.684 3.041 0.217 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.028 3.293 -0.056 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.912 2.235 -0.260 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -7.119 -1.492 0.414 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -5.627 -1.328 0.775 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.477 -0.347 -0.441 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -7.022 -0.128 -0.305 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.119 -1.100 -1.800 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.988 -0.563 -3.052 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.133 0.808 -3.452 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.703 -1.605 -3.880 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.677 -2.720 -3.191 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.939 -2.404 -1.880 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -8.099 -2.764 2.227 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -8.048 -1.533 1.519 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.933 3.851 1.298 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.111 4.494 2.175 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.199 4.202 1.644 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.695 4.426 0.086 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.654 -0.918 1.687 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 5.732 -0.759 0.698 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.936 -1.486 1.092 0.00 0.00 +0.093 C ATOM 36 C LIG 1 8.138 -1.060 0.229 0.00 0.00 +0.069 C ATOM 37 C LIG 1 9.217 -2.142 0.296 0.00 0.00 +0.015 C ATOM 38 C LIG 1 7.701 -0.759 -1.207 0.00 0.00 +0.254 C ATOM 39 F LIG 1 8.697 -1.055 -2.081 0.00 0.00 -0.205 F ATOM 40 F LIG 1 7.487 0.580 -1.344 0.00 0.00 -0.205 F ATOM 41 C LIG 1 6.440 -1.493 -1.603 0.00 0.00 +0.091 C ATOM 42 C LIG 1 5.294 -1.124 -0.661 0.00 0.00 +0.090 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7