REMARK Name = BDB037327 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.746 0.172 0.519 0.00 0.00 +0.105 A ATOM 2 C LIG 1 -1.436 0.579 0.143 0.00 0.00 +0.030 A ATOM 3 C LIG 1 -0.216 -0.183 -0.243 0.00 0.00 +0.084 C ATOM 4 C LIG 1 0.836 0.781 -0.834 0.00 0.00 +0.172 C ATOM 5 C LIG 1 0.932 2.113 -0.049 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -0.274 2.746 0.305 0.00 0.00 -0.254 N ATOM 7 O LIG 1 2.038 2.613 0.189 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.428 1.951 0.287 0.00 0.00 +0.136 A ATOM 9 N LIG 1 -2.759 2.311 0.467 0.00 0.00 -0.217 N ATOM 10 N LIG 1 -3.479 1.236 0.884 0.00 0.00 -0.164 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 0.238 -0.964 0.986 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.534 -0.361 2.221 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.982 -1.127 3.298 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.141 -2.499 3.149 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.572 -3.230 4.183 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.864 -3.121 1.941 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.418 -2.357 0.864 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -3.436 3.520 0.140 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.898 4.422 -0.790 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.603 5.581 -1.130 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.847 5.840 -0.553 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.400 4.931 0.350 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.703 3.769 0.692 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 2.179 0.206 -0.933 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.925 0.718 -0.458 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.463 -0.861 -1.748 0.00 0.00 +0.245 C ATOM 27 O LIG 1 1.640 -1.406 -2.474 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.860 -1.347 -1.689 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.522 -1.488 -0.461 0.00 0.00 +0.025 A ATOM 30 C LIG 1 5.839 -1.974 -0.416 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.470 -2.329 -1.625 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.805 -2.192 -2.847 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.497 -1.710 -2.881 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 6.541 -2.138 0.917 0.00 0.00 +0.417 C ATOM 35 F LIG 1 7.882 -2.357 0.807 0.00 0.00 -0.166 F ATOM 36 F LIG 1 6.410 -1.037 1.713 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.048 -3.190 1.636 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 1 39 ATOM 38 C LIG 1 -3.804 -1.636 1.754 0.00 0.00 +0.026 C ATOM 39 C LIG 1 -3.226 -1.180 0.626 0.00 0.00 +0.079 C BRANCH 39 40 ATOM 40 C LIG 1 -3.127 -2.055 -0.585 0.00 0.00 +0.341 C ATOM 41 O LIG 1 -2.837 -1.638 -1.698 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -3.379 -3.358 -0.284 0.00 0.00 -0.461 OA BRANCH 42 43 ATOM 43 C LIG 1 -3.328 -4.277 -1.385 0.00 0.00 +0.229 C ATOM 44 C LIG 1 -1.914 -4.797 -1.566 0.00 0.00 +0.048 C ENDBRANCH 42 43 ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 1 39 BRANCH 6 45 ATOM 45 C LIG 1 -0.165 4.001 1.059 0.00 0.00 +0.112 C ATOM 46 C LIG 1 0.106 3.766 2.539 0.00 0.00 +0.025 C ENDBRANCH 6 45 TORSDOF 10