REMARK Name = BDB018856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.597 0.254 -3.208 0.00 0.00 +0.140 C ATOM 2 N LIG 1 -0.903 0.134 -1.785 0.00 0.00 -0.255 N ATOM 3 C LIG 1 -2.254 0.006 -1.448 0.00 0.00 +0.242 C ATOM 4 O LIG 1 -3.100 -0.235 -2.324 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.149 0.008 -0.863 0.00 0.00 +0.171 A ATOM 6 N LIG 1 0.013 -0.343 0.419 0.00 0.00 -0.062 NA ATOM 7 O LIG 1 1.275 -0.377 0.965 0.00 0.00 -0.353 OA ATOM 8 C LIG 1 2.199 -0.065 0.017 0.00 0.00 +0.169 A ATOM 9 C LIG 1 1.532 0.178 -1.160 0.00 0.00 +0.097 A BRANCH 8 10 ATOM 10 C LIG 1 3.597 -0.063 0.435 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.967 -0.380 1.752 0.00 0.00 +0.011 A ATOM 12 C LIG 1 5.309 -0.375 2.143 0.00 0.00 +0.001 A ATOM 13 C LIG 1 6.303 -0.053 1.224 0.00 0.00 +0.000 A ATOM 14 C LIG 1 5.956 0.264 -0.087 0.00 0.00 +0.001 A ATOM 15 C LIG 1 4.613 0.259 -0.478 0.00 0.00 +0.011 A ENDBRANCH 8 10 ENDBRANCH 2 5 BRANCH 3 16 ATOM 16 C LIG 1 -2.725 0.202 0.009 0.00 0.00 +0.170 C ATOM 17 N LIG 1 -4.031 0.971 0.052 0.00 0.00 -0.258 N ATOM 18 C LIG 1 -5.082 0.080 0.585 0.00 0.00 +0.117 C ATOM 19 C LIG 1 -4.315 -0.896 1.456 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -3.052 -1.151 0.654 0.00 0.00 +0.034 C BRANCH 17 21 ATOM 21 C LIG 1 -4.257 2.113 -0.608 0.00 0.00 +0.170 C ATOM 22 N LIG 1 -4.434 3.113 -1.163 0.00 0.00 -0.174 NA ENDBRANCH 17 21 ENDBRANCH 3 16 TORSDOF 4