REMARK Name = BDB027706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.249 -1.368 -0.029 0.00 0.00 +0.130 A ATOM 2 C LIG 1 -0.946 -2.555 -0.307 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -2.337 -2.443 -0.316 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -3.039 -3.611 -0.578 0.00 0.00 +0.139 A ATOM 5 N LIG 1 -2.497 -4.832 -0.831 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -1.155 -4.899 -0.832 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -2.980 -1.288 -0.090 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 -2.227 -0.202 0.139 0.00 0.00 +0.162 A ATOM 9 C LIG 1 -0.346 -3.807 -0.580 0.00 0.00 +0.033 A ATOM 10 N LIG 1 -0.884 -0.203 0.177 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -2.918 1.080 0.373 0.00 0.00 +0.022 A ATOM 12 C LIG 1 -4.318 1.173 0.358 0.00 0.00 +0.031 A ATOM 13 C LIG 1 -4.923 2.400 0.584 0.00 0.00 +0.111 A ATOM 14 N LIG 1 -4.243 3.539 0.823 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 -2.899 3.445 0.836 0.00 0.00 +0.111 A ATOM 16 C LIG 1 -2.207 2.264 0.621 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 1.165 -1.393 0.015 0.00 0.00 -0.328 N ATOM 18 H LIG 1 1.450 -2.099 0.689 0.00 0.00 +0.147 HD BRANCH 17 19 ATOM 19 C LIG 1 1.792 -0.102 0.299 0.00 0.00 +0.103 C BRANCH 19 20 ATOM 20 C LIG 1 3.313 -0.269 0.249 0.00 0.00 +0.020 C BRANCH 20 21 ATOM 21 C LIG 1 4.075 1.004 0.630 0.00 0.00 +0.016 C BRANCH 21 22 ATOM 22 C LIG 1 3.883 2.144 -0.370 0.00 0.00 +0.078 C BRANCH 22 23 ATOM 23 N LIG 1 4.679 3.297 0.031 0.00 0.00 -0.330 NA ATOM 24 H LIG 1 5.668 3.050 0.034 0.00 0.00 +0.118 HD ATOM 25 H LIG 1 4.575 4.038 -0.662 0.00 0.00 +0.118 HD ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 7