REMARK Name = BDB032821 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.669 1.795 -1.239 0.00 0.00 -0.010 A ATOM 2 C LIG 1 2.618 1.516 -0.245 0.00 0.00 +0.020 A ATOM 3 C LIG 1 3.850 1.038 -0.649 0.00 0.00 +0.042 A ATOM 4 C LIG 1 5.011 0.669 0.169 0.00 0.00 +0.248 C ATOM 5 N LIG 1 6.027 0.320 -0.709 0.00 0.00 -0.282 N ATOM 6 C LIG 1 5.559 0.271 -2.088 0.00 0.00 +0.144 C ATOM 7 O LIG 1 5.029 0.670 1.384 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 4.174 0.814 -1.985 0.00 0.00 -0.018 A ATOM 9 C LIG 1 3.246 1.069 -2.978 0.00 0.00 +0.006 A ATOM 10 C LIG 1 1.990 1.560 -2.598 0.00 0.00 +0.007 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 7.275 -0.321 -0.310 0.00 0.00 +0.163 C ATOM 12 C LIG 1 7.052 -1.797 0.054 0.00 0.00 +0.240 C ATOM 13 O LIG 1 6.191 -2.503 -0.469 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 7.961 -2.347 0.929 0.00 0.00 -0.255 N ATOM 15 H LIG 1 7.833 -3.327 1.139 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 9.085 -1.760 1.455 0.00 0.00 +0.219 C ATOM 17 O LIG 1 9.893 -2.415 2.107 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 9.317 -0.308 1.111 0.00 0.00 +0.098 C ATOM 19 C LIG 1 8.007 0.406 0.818 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 C LIG 1 0.297 2.296 -0.861 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 -0.556 1.158 -0.724 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 -2.545 0.311 -0.299 0.00 0.00 -0.248 N ATOM 23 H LIG 1 -2.001 -0.529 -0.457 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -1.840 1.472 -0.412 0.00 0.00 +0.405 C ATOM 25 O LIG 1 -2.247 2.614 -0.270 0.00 0.00 -0.226 OA BRANCH 22 30 ATOM 26 C LIG 1 -6.637 -0.406 0.622 0.00 0.00 -0.039 A ATOM 27 C LIG 1 -5.725 -1.445 0.364 0.00 0.00 +0.044 A ATOM 28 C LIG 1 -4.391 -1.171 0.065 0.00 0.00 +0.145 A ATOM 29 F LIG 1 -3.559 -2.197 -0.175 0.00 0.00 -0.204 F ATOM 30 C LIG 1 -3.906 0.136 0.010 0.00 0.00 +0.072 A ATOM 31 C LIG 1 -4.793 1.177 0.262 0.00 0.00 +0.026 A ATOM 32 C LIG 1 -6.139 0.908 0.563 0.00 0.00 +0.006 A BRANCH 26 34 ATOM 33 C LIG 1 -8.744 -1.495 -0.228 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -8.105 -0.728 0.950 0.00 0.00 -0.013 C ATOM 35 C LIG 1 -8.172 -1.601 2.221 0.00 0.00 +0.015 C ATOM 36 C LIG 1 -8.976 0.523 1.208 0.00 0.00 +0.015 C ENDBRANCH 26 34 ENDBRANCH 22 30 ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 6