REMARK Name = BDB014697 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.681 3.021 0.364 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -5.168 1.633 0.027 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -4.205 0.648 -0.152 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -2.771 0.970 -0.314 0.00 0.00 +0.148 C ATOM 5 C LIG 1 -1.929 -0.239 -0.121 0.00 0.00 +0.032 A ATOM 6 C LIG 1 -0.517 -0.403 -0.070 0.00 0.00 +0.150 A ATOM 7 N LIG 1 -0.206 -1.691 0.113 0.00 0.00 -0.156 NA ATOM 8 N LIG 1 -1.381 -2.337 0.192 0.00 0.00 -0.269 N ATOM 9 C LIG 1 -1.383 -3.762 0.410 0.00 0.00 +0.172 C ATOM 10 C LIG 1 -2.444 -1.508 0.034 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -3.887 -1.843 0.041 0.00 0.00 +0.074 C ATOM 12 C LIG 1 -4.660 -0.681 -0.614 0.00 0.00 +0.114 C ATOM 13 O LIG 1 -6.376 1.413 -0.065 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 14 ATOM 14 N LIG 1 0.336 0.645 -0.201 0.00 0.00 -0.298 N ATOM 15 H LIG 1 -0.069 1.561 -0.333 0.00 0.00 +0.154 HD BRANCH 14 16 ATOM 16 C LIG 1 1.761 0.713 -0.181 0.00 0.00 +0.035 A ATOM 17 C LIG 1 2.572 -0.434 0.002 0.00 0.00 +0.053 A ATOM 18 C LIG 1 3.957 -0.188 -0.006 0.00 0.00 +0.094 A ATOM 19 C LIG 1 4.466 1.145 -0.190 0.00 0.00 +0.020 A ATOM 20 C LIG 1 5.830 1.067 -0.151 0.00 0.00 +0.116 A ATOM 21 N LIG 1 6.090 -0.259 0.047 0.00 0.00 -0.273 N ATOM 22 C LIG 1 7.391 -0.873 0.162 0.00 0.00 +0.172 C ATOM 23 C LIG 1 3.733 2.306 -0.374 0.00 0.00 +0.013 A ATOM 24 N LIG 1 4.992 -1.036 0.138 0.00 0.00 -0.171 NA ATOM 25 C LIG 1 2.348 2.025 -0.361 0.00 0.00 +0.024 A ENDBRANCH 14 16 ENDBRANCH 6 14 TORSDOF 2