REMARK Name = BDB050635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.374 -0.837 0.995 0.00 0.00 +0.282 C ATOM 2 N LIG 1 -0.966 -1.289 0.907 0.00 0.00 -0.291 N ATOM 3 O LIG 1 0.609 0.284 1.459 0.00 0.00 -0.267 OA ENDROOT BRANCH 1 12 ATOM 4 N LIG 1 2.680 -1.229 0.026 0.00 0.00 -0.320 N ATOM 5 C LIG 1 3.477 -2.316 -0.255 0.00 0.00 +0.069 A ATOM 6 C LIG 1 2.706 -3.408 0.122 0.00 0.00 +0.090 A ATOM 7 C LIG 1 3.221 -4.704 -0.025 0.00 0.00 +0.030 A ATOM 8 C LIG 1 4.508 -4.862 -0.551 0.00 0.00 +0.002 A ATOM 9 C LIG 1 5.267 -3.751 -0.922 0.00 0.00 +0.002 A ATOM 10 N LIG 1 1.490 -3.005 0.607 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 4.768 -2.450 -0.781 0.00 0.00 +0.028 A ATOM 12 C LIG 1 1.473 -1.684 0.529 0.00 0.00 +0.198 A BRANCH 4 13 ATOM 13 C LIG 1 3.044 0.157 -0.217 0.00 0.00 +0.124 C BRANCH 13 14 ATOM 14 C LIG 1 3.814 0.766 0.954 0.00 0.00 +0.024 C BRANCH 14 15 ATOM 15 C LIG 1 4.043 2.271 0.804 0.00 0.00 +0.030 C BRANCH 15 16 ATOM 16 C LIG 1 4.904 2.638 -0.404 0.00 0.00 +0.159 C BRANCH 16 18 ATOM 17 C LIG 1 4.254 4.903 -0.748 0.00 0.00 +0.193 C ATOM 18 O LIG 1 5.293 4.009 -0.374 0.00 0.00 -0.383 OA ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 4 13 ENDBRANCH 1 12 BRANCH 2 19 ATOM 19 C LIG 1 -1.990 -0.427 1.555 0.00 0.00 +0.091 C ATOM 20 C LIG 1 -2.306 0.835 0.722 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -3.766 1.298 0.891 0.00 0.00 +0.036 C ATOM 22 C LIG 1 -4.702 0.126 0.511 0.00 0.00 +0.087 C ATOM 23 N LIG 1 -4.362 -1.184 1.080 0.00 0.00 -0.314 NA ATOM 24 H LIG 1 -4.131 -1.827 0.326 0.00 0.00 +0.122 HD ATOM 25 C LIG 1 -3.273 -1.134 2.054 0.00 0.00 +0.103 C BRANCH 21 26 ATOM 26 C LIG 1 -4.093 2.599 0.091 0.00 0.00 +0.065 C ATOM 27 C LIG 1 -3.207 3.779 0.521 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -5.561 3.015 0.258 0.00 0.00 +0.041 C BRANCH 26 29 ATOM 29 O LIG 1 -3.890 2.375 -1.308 0.00 0.00 -0.389 OA ATOM 30 H LIG 1 -2.934 2.381 -1.485 0.00 0.00 +0.210 HD ENDBRANCH 26 29 ENDBRANCH 21 26 ENDBRANCH 2 19 BRANCH 2 31 ATOM 31 C LIG 1 -1.387 -2.403 0.035 0.00 0.00 +0.111 C BRANCH 31 32 ATOM 32 C LIG 1 -1.819 -1.988 -1.386 0.00 0.00 +0.000 C ATOM 33 C LIG 1 -0.669 -1.396 -2.203 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -2.399 -3.200 -2.121 0.00 0.00 +0.009 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 11