REMARK Name = BDB027704 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.564 -0.713 0.371 0.00 0.00 +0.131 A ATOM 2 C LIG 1 -0.368 -2.065 0.709 0.00 0.00 +0.043 A ATOM 3 C LIG 1 0.945 -2.527 0.609 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.150 -3.860 0.932 0.00 0.00 +0.139 A ATOM 5 N LIG 1 0.198 -4.741 1.338 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -1.053 -4.262 1.437 0.00 0.00 +0.111 A ATOM 7 N LIG 1 1.966 -1.748 0.228 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 1.686 -0.467 -0.055 0.00 0.00 +0.162 A ATOM 9 C LIG 1 -1.384 -2.953 1.140 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.457 0.074 0.005 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.804 0.404 -0.466 0.00 0.00 +0.022 A ATOM 12 C LIG 1 2.604 1.754 -0.793 0.00 0.00 +0.031 A ATOM 13 C LIG 1 3.687 2.533 -1.173 0.00 0.00 +0.111 A ATOM 14 N LIG 1 4.950 2.072 -1.252 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 5.139 0.775 -0.938 0.00 0.00 +0.111 A ATOM 16 C LIG 1 4.119 -0.079 -0.548 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.865 -0.183 0.434 0.00 0.00 -0.323 N ATOM 18 H LIG 1 -2.452 -0.784 -0.147 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -1.379 2.152 1.177 0.00 0.00 +0.032 C ATOM 20 C LIG 1 -2.163 1.252 0.198 0.00 0.00 +0.041 C ATOM 21 C LIG 1 -1.873 1.656 -1.258 0.00 0.00 +0.032 C BRANCH 20 22 ATOM 22 C LIG 1 -3.672 1.488 0.522 0.00 0.00 +0.143 C BRANCH 22 23 ATOM 23 C LIG 1 -4.574 0.699 -0.328 0.00 0.00 +0.065 C ATOM 24 N LIG 1 -5.266 0.054 -1.001 0.00 0.00 -0.196 NA ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 5