REMARK Name = BDB027658 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.540 0.827 0.302 0.00 0.00 +0.131 A ATOM 2 C LIG 1 -0.087 2.139 0.531 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.289 2.333 0.403 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.748 3.621 0.638 0.00 0.00 +0.139 A ATOM 5 N LIG 1 0.984 4.696 0.970 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.338 4.478 1.066 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.138 1.352 0.070 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 1.611 0.140 -0.159 0.00 0.00 +0.162 A ATOM 9 C LIG 1 -0.915 3.239 0.860 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.304 -0.152 -0.054 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.530 -0.948 -0.543 0.00 0.00 +0.022 A ATOM 12 C LIG 1 3.914 -0.737 -0.650 0.00 0.00 +0.031 A ATOM 13 C LIG 1 4.740 -1.789 -1.014 0.00 0.00 +0.111 A ATOM 14 N LIG 1 4.296 -3.033 -1.280 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 2.967 -3.232 -1.178 0.00 0.00 +0.111 A ATOM 16 C LIG 1 2.065 -2.242 -0.821 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.910 0.550 0.435 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -2.206 0.862 1.357 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -1.999 -1.859 1.067 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -2.495 -0.765 0.111 0.00 0.00 +0.025 C ATOM 21 C LIG 1 -4.019 -0.611 0.318 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -2.266 -1.147 -1.358 0.00 0.00 +0.031 C ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 3