REMARK Name = BDB037792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.662 -1.251 -1.859 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -0.562 -1.217 -1.160 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.474 -0.089 -0.853 0.00 0.00 +0.083 C ATOM 4 C LIG 1 -2.919 -0.605 -0.904 0.00 0.00 +0.172 C ATOM 5 C LIG 1 -3.126 -1.982 -0.225 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -2.124 -2.964 -0.392 0.00 0.00 -0.254 N ATOM 7 O LIG 1 -4.193 -2.215 0.355 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -0.874 -2.534 -0.878 0.00 0.00 +0.135 A ATOM 9 N LIG 1 0.287 -3.248 -1.187 0.00 0.00 -0.218 N ATOM 10 N LIG 1 1.104 -2.508 -1.988 0.00 0.00 -0.168 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -1.008 0.486 0.483 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -0.494 1.799 0.511 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.067 2.381 1.707 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.158 1.660 2.888 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.247 2.217 4.038 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.663 0.366 2.896 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -1.088 -0.219 1.700 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 0.782 -4.488 -0.706 0.00 0.00 +0.067 A ATOM 19 C LIG 1 1.617 -5.257 -1.533 0.00 0.00 +0.028 A ATOM 20 C LIG 1 2.124 -6.474 -1.075 0.00 0.00 +0.002 A ATOM 21 C LIG 1 1.821 -6.915 0.215 0.00 0.00 +0.000 A ATOM 22 C LIG 1 1.030 -6.129 1.056 0.00 0.00 +0.002 A ATOM 23 C LIG 1 0.522 -4.909 0.603 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 -3.887 0.375 -0.406 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -4.388 0.133 0.442 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -4.381 1.353 -1.229 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -4.039 1.483 -2.396 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -5.428 2.223 -0.643 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.320 2.709 0.667 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -6.327 3.534 1.196 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -7.433 3.864 0.394 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -7.535 3.379 -0.911 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.530 2.564 -1.432 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -6.220 4.094 2.596 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -5.820 5.399 2.603 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -5.331 3.419 3.382 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -7.406 4.060 3.262 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 -2.551 -4.355 -0.234 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -2.851 -4.758 1.206 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 1.456 -0.111 -2.409 0.00 0.00 +0.162 C BRANCH 40 42 ATOM 41 C LIG 1 2.625 1.579 -1.039 0.00 0.00 +0.241 C ATOM 42 N LIG 1 2.408 0.279 -1.394 0.00 0.00 -0.306 N ATOM 43 H LIG 1 2.941 -0.460 -0.951 0.00 0.00 +0.149 HD ATOM 44 O LIG 1 2.110 2.539 -1.596 0.00 0.00 -0.271 OA BRANCH 41 46 ATOM 45 C LIG 1 3.538 0.967 1.158 0.00 0.00 +0.019 C ATOM 46 C LIG 1 3.606 1.754 0.070 0.00 0.00 +0.021 C BRANCH 46 47 ATOM 47 C LIG 1 4.571 2.903 -0.067 0.00 0.00 +0.124 C BRANCH 47 48 ATOM 48 N LIG 1 5.946 2.460 -0.349 0.00 0.00 -0.298 NA ATOM 49 C LIG 1 6.894 3.576 -0.289 0.00 0.00 +0.085 C ATOM 50 C LIG 1 8.127 3.033 -0.996 0.00 0.00 +0.017 C ATOM 51 C LIG 1 7.610 1.921 -1.902 0.00 0.00 +0.017 C ATOM 52 C LIG 1 6.103 1.914 -1.703 0.00 0.00 +0.085 C ENDBRANCH 47 48 ENDBRANCH 46 47 ENDBRANCH 41 46 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 11