REMARK Name = BDB037318 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.525 0.198 0.702 0.00 0.00 +0.153 A ATOM 2 C LIG 1 -1.276 -0.370 0.356 0.00 0.00 +0.044 A ATOM 3 C LIG 1 0.108 0.173 0.378 0.00 0.00 +0.085 C ATOM 4 C LIG 1 1.117 -0.979 0.177 0.00 0.00 +0.172 C ATOM 5 C LIG 1 0.664 -1.982 -0.915 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -0.676 -2.414 -0.880 0.00 0.00 -0.254 N ATOM 7 O LIG 1 1.488 -2.426 -1.724 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.569 -1.625 -0.141 0.00 0.00 +0.137 A ATOM 9 N LIG 1 -2.900 -1.849 0.197 0.00 0.00 -0.216 N ATOM 10 N LIG 1 -3.508 -0.673 0.488 0.00 0.00 -0.149 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 0.174 1.300 -0.647 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.711 2.540 -0.244 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.812 3.605 -1.140 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.382 3.439 -2.449 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.478 4.461 -3.310 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.140 2.227 -2.879 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.238 1.159 -1.985 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -3.604 -3.066 0.413 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.922 -4.262 0.679 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.639 -5.437 0.922 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.033 -5.420 0.921 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.716 -4.228 0.689 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -5.006 -3.050 0.447 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 1 25 ATOM 24 C LIG 1 -3.893 2.074 1.480 0.00 0.00 +0.245 C ATOM 25 N LIG 1 -2.692 1.499 1.129 0.00 0.00 -0.265 N ATOM 26 H LIG 1 -1.854 2.055 1.163 0.00 0.00 +0.157 HD ATOM 27 O LIG 1 -4.979 1.513 1.578 0.00 0.00 -0.270 OA BRANCH 24 29 ATOM 28 C LIG 1 -4.735 4.100 2.542 0.00 0.00 +0.017 C ATOM 29 C LIG 1 -3.782 3.549 1.771 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -2.692 4.368 1.151 0.00 0.00 +0.048 C ENDBRANCH 24 29 ENDBRANCH 1 25 BRANCH 4 31 ATOM 31 N LIG 1 2.482 -0.539 -0.124 0.00 0.00 -0.299 N ATOM 32 H LIG 1 2.931 -1.010 -0.904 0.00 0.00 +0.150 HD ATOM 33 C LIG 1 3.227 0.181 0.776 0.00 0.00 +0.245 C ATOM 34 O LIG 1 2.784 0.546 1.860 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 4.627 0.501 0.385 0.00 0.00 +0.037 A ATOM 36 C LIG 1 5.560 0.754 1.400 0.00 0.00 +0.025 A ATOM 37 C LIG 1 6.891 1.074 1.088 0.00 0.00 +0.056 A ATOM 38 C LIG 1 7.274 1.132 -0.261 0.00 0.00 +0.012 A ATOM 39 C LIG 1 6.344 0.898 -1.275 0.00 0.00 +0.001 A ATOM 40 C LIG 1 5.021 0.588 -0.955 0.00 0.00 +0.013 A BRANCH 37 41 ATOM 41 C LIG 1 7.903 1.316 2.181 0.00 0.00 +0.417 C ATOM 42 F LIG 1 8.614 0.195 2.481 0.00 0.00 -0.166 F ATOM 43 F LIG 1 8.822 2.266 1.851 0.00 0.00 -0.166 F ATOM 44 F LIG 1 7.345 1.731 3.352 0.00 0.00 -0.166 F ENDBRANCH 37 41 ENDBRANCH 33 35 ENDBRANCH 4 31 BRANCH 6 45 ATOM 45 C LIG 1 -1.101 -3.343 -1.936 0.00 0.00 +0.112 C ATOM 46 C LIG 1 -1.373 -2.629 -3.255 0.00 0.00 +0.025 C ENDBRANCH 6 45 TORSDOF 8