REMARK Name = BDB027293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.266 -1.539 0.371 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.482 -1.071 0.886 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -2.679 -1.694 0.459 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.662 -2.735 -0.468 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.500 -3.199 -0.967 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.361 -2.599 -0.545 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.884 -3.394 -0.968 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.869 -4.760 -1.312 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.016 -5.392 -1.785 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -4.969 -6.695 -2.096 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -6.199 -4.683 -1.931 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -7.303 -5.292 -2.385 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -6.248 -3.333 -1.611 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -5.098 -2.693 -1.134 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 3.176 -0.045 -0.104 0.00 0.00 +0.092 C ATOM 16 C LIG 1 1.629 -0.169 -0.312 0.00 0.00 +0.134 C ATOM 17 N LIG 1 0.998 -1.060 0.678 0.00 0.00 -0.326 N ATOM 18 C LIG 1 1.460 -0.972 2.054 0.00 0.00 +0.105 C ATOM 19 C LIG 1 2.948 -1.322 2.123 0.00 0.00 +0.021 C ATOM 20 C LIG 1 3.698 -1.186 0.791 0.00 0.00 +0.033 C BRANCH 15 21 ATOM 21 N LIG 1 3.870 -0.124 -1.418 0.00 0.00 -0.318 NA ATOM 22 H LIG 1 3.399 0.482 -2.095 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 3.762 -1.069 -1.794 0.00 0.00 +0.119 HD ENDBRANCH 15 21 BRANCH 15 24 ATOM 24 C LIG 1 3.511 1.326 0.554 0.00 0.00 +0.165 C ATOM 25 O LIG 1 2.765 1.767 1.448 0.00 0.00 -0.295 OA BRANCH 24 27 ATOM 26 C LIG 1 4.428 3.239 -0.876 0.00 0.00 +0.024 C ATOM 27 C LIG 1 4.774 2.141 0.134 0.00 0.00 +0.074 C ATOM 28 C LIG 1 6.096 1.414 -0.191 0.00 0.00 +0.176 C ATOM 29 O LIG 1 6.835 2.271 0.716 0.00 0.00 -0.378 OA ATOM 30 C LIG 1 5.592 2.704 1.321 0.00 0.00 +0.176 C ENDBRANCH 24 27 ENDBRANCH 15 24 ENDBRANCH 1 17 BRANCH 2 31 ATOM 31 C LIG 1 -1.630 0.108 1.819 0.00 0.00 +0.161 C BRANCH 31 32 ATOM 32 N LIG 1 -1.709 1.370 1.107 0.00 0.00 -0.310 N ATOM 33 C LIG 1 -2.801 1.864 0.443 0.00 0.00 +0.166 A ATOM 34 C LIG 1 -2.393 3.099 -0.038 0.00 0.00 +0.147 A ATOM 35 C LIG 1 -3.331 3.825 -0.790 0.00 0.00 +0.147 A ATOM 36 N LIG 1 -4.563 3.299 -0.970 0.00 0.00 -0.219 NA ATOM 37 C LIG 1 -4.824 2.086 -0.437 0.00 0.00 +0.225 A ATOM 38 N LIG 1 -1.103 3.381 0.360 0.00 0.00 -0.231 NA ATOM 39 N LIG 1 -4.008 1.291 0.286 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 -0.736 2.334 1.070 0.00 0.00 +0.202 A BRANCH 35 41 ATOM 41 N LIG 1 -3.064 5.075 -1.336 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -3.909 5.604 -1.504 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -2.291 5.551 -0.885 0.00 0.00 +0.144 HD ENDBRANCH 35 41 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 8