REMARK Name = BDB026397 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.010 0.034 0.169 0.00 0.00 +0.004 A ATOM 2 C LIG 1 -1.612 -0.157 -1.163 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -0.258 -0.257 -1.422 0.00 0.00 +0.070 A ATOM 4 N LIG 1 0.407 -0.452 -2.639 0.00 0.00 -0.295 N ATOM 5 C LIG 1 1.794 -0.495 -2.404 0.00 0.00 +0.331 A ATOM 6 N LIG 1 1.969 -0.308 -1.014 0.00 0.00 -0.280 N ATOM 7 O LIG 1 2.678 -0.647 -3.233 0.00 0.00 -0.246 OA ATOM 8 C LIG 1 -0.227 -0.608 -3.916 0.00 0.00 +0.154 C ATOM 9 C LIG 1 0.706 -0.172 -0.414 0.00 0.00 +0.071 A ATOM 10 C LIG 1 0.344 0.008 0.903 0.00 0.00 +0.029 A ATOM 11 C LIG 1 -1.024 0.114 1.185 0.00 0.00 +0.012 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 3.261 -0.304 -0.367 0.00 0.00 +0.179 C ATOM 13 C LIG 1 3.409 -1.393 0.703 0.00 0.00 +0.242 C ATOM 14 O LIG 1 2.763 -2.438 0.727 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 4.389 -1.173 1.647 0.00 0.00 -0.255 N ATOM 16 H LIG 1 4.495 -1.896 2.345 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 5.167 -0.055 1.817 0.00 0.00 +0.219 C ATOM 18 O LIG 1 5.962 0.027 2.748 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 5.030 1.028 0.774 0.00 0.00 +0.099 C ATOM 20 C LIG 1 3.624 1.069 0.199 0.00 0.00 +0.044 C ENDBRANCH 6 12 BRANCH 1 26 ATOM 21 C LIG 1 -6.059 0.778 2.909 0.00 0.00 +0.086 C ATOM 22 C LIG 1 -5.143 0.488 1.783 0.00 0.00 +0.105 A ATOM 23 N LIG 1 -5.597 0.186 0.525 0.00 0.00 -0.348 N ATOM 24 H LIG 1 -6.567 0.130 0.246 0.00 0.00 +0.166 HD ATOM 25 C LIG 1 -4.508 -0.028 -0.276 0.00 0.00 +0.112 A ATOM 26 C LIG 1 -3.413 0.155 0.541 0.00 0.00 +0.089 A ATOM 27 N LIG 1 -3.827 0.475 1.816 0.00 0.00 -0.233 NA ENDBRANCH 1 26 TORSDOF 2