REMARK Name = BDB014730 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.833 5.129 -0.257 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -0.578 4.605 -0.362 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -0.749 3.227 -0.309 0.00 0.00 -0.297 N ATOM 4 C LIG 1 0.330 2.316 0.129 0.00 0.00 +0.148 C ATOM 5 C LIG 1 0.028 0.912 -0.251 0.00 0.00 +0.032 A ATOM 6 C LIG 1 0.806 -0.275 -0.153 0.00 0.00 +0.150 A ATOM 7 N LIG 1 0.118 -1.321 -0.623 0.00 0.00 -0.155 NA ATOM 8 N LIG 1 -1.074 -0.827 -1.008 0.00 0.00 -0.266 N ATOM 9 C LIG 1 -1.174 0.512 -0.795 0.00 0.00 +0.047 A ATOM 10 C LIG 1 -2.311 1.414 -1.092 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -2.133 2.708 -0.273 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -1.516 5.391 -0.502 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 N LIG 1 2.063 -0.269 0.356 0.00 0.00 -0.298 N ATOM 14 H LIG 1 2.438 0.617 0.666 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 3.003 -1.308 0.554 0.00 0.00 +0.032 A ATOM 16 C LIG 1 2.766 -2.648 0.229 0.00 0.00 +0.023 A ATOM 17 C LIG 1 3.738 -3.631 0.449 0.00 0.00 +0.002 A ATOM 18 C LIG 1 4.969 -3.289 0.999 0.00 0.00 +0.000 A ATOM 19 C LIG 1 5.229 -1.964 1.329 0.00 0.00 +0.002 A ATOM 20 C LIG 1 4.255 -0.985 1.108 0.00 0.00 +0.023 A ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 8 21 ATOM 21 C LIG 1 -2.061 -1.723 -1.597 0.00 0.00 +0.147 C BRANCH 21 22 ATOM 22 C LIG 1 -2.821 -2.483 -0.551 0.00 0.00 +0.010 C ATOM 23 C LIG 1 -4.096 -3.201 -0.917 0.00 0.00 +0.005 C ATOM 24 C LIG 1 -4.147 -1.991 -0.027 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 4