REMARK Name = BDB032013 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.827 -0.890 0.723 0.00 0.00 -0.273 N ATOM 2 C LIG 1 0.438 -0.968 0.533 0.00 0.00 +0.167 A ATOM 3 C LIG 1 0.045 -2.240 0.878 0.00 0.00 +0.107 A ATOM 4 C LIG 1 -1.275 -2.523 0.760 0.00 0.00 +0.144 A ATOM 5 N LIG 1 -2.142 -1.585 0.324 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 -1.669 -0.356 0.003 0.00 0.00 +0.221 A ATOM 7 N LIG 1 1.161 -2.978 1.268 0.00 0.00 -0.292 N ATOM 8 C LIG 1 1.155 -4.362 1.643 0.00 0.00 +0.154 C ATOM 9 N LIG 1 -0.371 -0.005 0.089 0.00 0.00 -0.195 NA ATOM 10 C LIG 1 2.296 -2.153 1.145 0.00 0.00 +0.331 A ATOM 11 O LIG 1 3.455 -2.472 1.356 0.00 0.00 -0.246 OA ENDROOT BRANCH 1 17 ATOM 12 C LIG 1 7.765 1.380 0.428 0.00 0.00 +0.109 C ATOM 13 C LIG 1 6.659 1.552 -0.582 0.00 0.00 +0.212 C ATOM 14 N LIG 1 5.417 1.023 -0.262 0.00 0.00 -0.302 N ATOM 15 C LIG 1 5.091 0.374 1.010 0.00 0.00 +0.110 C ATOM 16 C LIG 1 3.651 0.652 1.428 0.00 0.00 +0.044 C ATOM 17 C LIG 1 2.626 0.264 0.346 0.00 0.00 +0.097 C ATOM 18 C LIG 1 3.271 0.057 -1.030 0.00 0.00 +0.044 C ATOM 19 C LIG 1 4.366 1.084 -1.274 0.00 0.00 +0.110 C ATOM 20 O LIG 1 6.872 2.146 -1.640 0.00 0.00 -0.276 OA ENDBRANCH 1 17 BRANCH 6 21 ATOM 21 N LIG 1 -2.509 0.650 -0.468 0.00 0.00 -0.283 N ATOM 22 H LIG 1 -1.949 1.472 -0.642 0.00 0.00 +0.155 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.897 0.776 -0.629 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -4.427 1.916 -1.268 0.00 0.00 -0.027 A ATOM 25 C LIG 1 -3.549 3.033 -1.769 0.00 0.00 +0.046 C ATOM 26 C LIG 1 -5.818 2.030 -1.448 0.00 0.00 +0.035 A ATOM 27 C LIG 1 -6.697 1.045 -1.027 0.00 0.00 +0.090 A ATOM 28 C LIG 1 -6.177 -0.107 -0.400 0.00 0.00 +0.091 A ATOM 29 N LIG 1 -6.991 -1.096 0.027 0.00 0.00 -0.252 NA ATOM 30 C LIG 1 -8.314 -0.921 -0.179 0.00 0.00 +0.131 A ATOM 31 C LIG 1 -8.818 0.206 -0.793 0.00 0.00 +0.131 A ATOM 32 N LIG 1 -8.021 1.206 -1.226 0.00 0.00 -0.252 NA ATOM 33 C LIG 1 -4.800 -0.216 -0.221 0.00 0.00 +0.053 A ENDBRANCH 21 23 ENDBRANCH 6 21 TORSDOF 3