REMARK Name = BDB027778 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.248 -0.181 0.309 0.00 0.00 +0.180 A ATOM 2 N LIG 1 -1.636 0.824 1.099 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -0.696 1.722 1.424 0.00 0.00 +0.095 A ATOM 4 C LIG 1 0.629 1.634 0.989 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.548 2.646 1.361 0.00 0.00 +0.033 A ATOM 6 C LIG 1 1.116 3.687 2.163 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -0.145 3.789 2.614 0.00 0.00 -0.261 NA ATOM 8 C LIG 1 0.931 0.518 0.183 0.00 0.00 +0.131 A ATOM 9 C LIG 1 -1.004 2.810 2.226 0.00 0.00 +0.139 A ATOM 10 N LIG 1 -0.011 -0.372 -0.159 0.00 0.00 -0.211 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.304 -0.265 1.079 0.00 0.00 +0.150 C ATOM 12 N LIG 1 -3.574 -1.204 0.262 0.00 0.00 -0.331 N ATOM 13 C LIG 1 -2.237 -1.171 -0.079 0.00 0.00 +0.106 A ATOM 14 C LIG 1 -2.083 -2.298 -0.870 0.00 0.00 +0.142 A ATOM 15 N LIG 1 -3.255 -2.994 -1.010 0.00 0.00 -0.243 NA ATOM 16 C LIG 1 -4.133 -2.310 -0.317 0.00 0.00 +0.199 A ENDBRANCH 1 13 BRANCH 8 17 ATOM 17 N LIG 1 2.274 0.358 -0.269 0.00 0.00 -0.323 N ATOM 18 H LIG 1 2.874 0.378 0.553 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 2.744 -0.607 -1.298 0.00 0.00 +0.031 C ATOM 20 C LIG 1 1.858 -1.124 -2.403 0.00 0.00 +0.027 C ATOM 21 C LIG 1 2.288 -2.046 -1.294 0.00 0.00 +0.027 C ATOM 22 C LIG 1 4.191 -0.363 -1.679 0.00 0.00 +0.031 C ENDBRANCH 17 19 ENDBRANCH 8 17 TORSDOF 3