REMARK Name = BDB037373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.181 -2.184 0.729 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.914 -0.990 0.605 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -1.358 0.246 0.334 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.369 1.198 0.629 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.490 0.571 1.024 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.062 0.401 -0.071 0.00 0.00 +0.084 C ATOM 7 C LIG 1 0.879 -0.686 0.650 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -3.282 -0.737 0.718 0.00 0.00 -0.217 N ATOM 9 C LIG 1 0.224 -2.092 0.642 0.00 0.00 +0.242 C ATOM 10 O LIG 1 0.958 -3.089 0.656 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.042 0.409 -1.596 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -0.022 1.653 -2.260 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.051 1.726 -3.654 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.014 0.558 -4.400 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.039 0.625 -5.737 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.049 -0.681 -3.777 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.076 -0.757 -2.382 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -4.408 -1.558 0.453 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -5.625 -1.288 1.093 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -6.747 -2.074 0.821 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -6.665 -3.109 -0.109 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.468 -3.349 -0.783 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.343 -2.567 -0.512 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 4 24 ATOM 24 C LIG 1 -2.298 2.667 0.604 0.00 0.00 +0.265 C ATOM 25 N LIG 1 -1.182 3.204 1.220 0.00 0.00 -0.309 N ATOM 26 H LIG 1 -0.588 2.600 1.774 0.00 0.00 +0.149 HD ATOM 27 O LIG 1 -3.168 3.375 0.104 0.00 0.00 -0.268 OA BRANCH 25 28 ATOM 28 C LIG 1 -0.988 4.640 1.312 0.00 0.00 +0.119 C BRANCH 28 29 ATOM 29 C LIG 1 -1.909 5.302 2.336 0.00 0.00 +0.137 C BRANCH 29 30 ATOM 30 C LIG 1 -1.594 6.729 2.457 0.00 0.00 +0.064 C ATOM 31 N LIG 1 -1.327 7.853 2.559 0.00 0.00 -0.197 NA ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 4 24 BRANCH 7 32 ATOM 32 N LIG 1 2.269 -0.782 0.202 0.00 0.00 -0.299 N ATOM 33 H LIG 1 2.621 -1.725 0.061 0.00 0.00 +0.150 HD ATOM 34 C LIG 1 3.160 0.237 0.449 0.00 0.00 +0.245 C ATOM 35 O LIG 1 2.826 1.291 0.980 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 4.579 -0.008 0.074 0.00 0.00 +0.037 A ATOM 37 C LIG 1 5.578 0.718 0.737 0.00 0.00 +0.025 A ATOM 38 C LIG 1 6.933 0.532 0.416 0.00 0.00 +0.056 A ATOM 39 C LIG 1 7.272 -0.399 -0.577 0.00 0.00 +0.012 A ATOM 40 C LIG 1 6.279 -1.113 -1.251 0.00 0.00 +0.001 A ATOM 41 C LIG 1 4.934 -0.916 -0.931 0.00 0.00 +0.013 A BRANCH 38 42 ATOM 42 C LIG 1 8.003 1.297 1.156 0.00 0.00 +0.417 C ATOM 43 F LIG 1 9.169 1.400 0.460 0.00 0.00 -0.166 F ATOM 44 F LIG 1 8.325 0.712 2.342 0.00 0.00 -0.166 F ATOM 45 F LIG 1 7.634 2.574 1.455 0.00 0.00 -0.166 F ENDBRANCH 38 42 ENDBRANCH 34 36 ENDBRANCH 7 32 BRANCH 1 47 ATOM 46 C LIG 1 -1.610 -4.591 0.155 0.00 0.00 +0.025 C ATOM 47 C LIG 1 -1.719 -3.470 1.183 0.00 0.00 +0.112 C ENDBRANCH 1 47 TORSDOF 10