REMARK Name = BDB027784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.699 -0.424 0.153 0.00 0.00 +0.180 A ATOM 2 N LIG 1 2.042 -1.629 0.624 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 1.042 -2.433 0.999 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -0.300 -2.058 0.923 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -1.292 -2.960 1.383 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -0.909 -4.196 1.872 0.00 0.00 +0.111 A ATOM 7 N LIG 1 0.372 -4.593 1.935 0.00 0.00 -0.261 NA ATOM 8 C LIG 1 -0.549 -0.772 0.397 0.00 0.00 +0.131 A ATOM 9 C LIG 1 1.301 -3.698 1.504 0.00 0.00 +0.139 A ATOM 10 N LIG 1 0.450 0.040 0.010 0.00 0.00 -0.211 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 1.710 1.983 -1.858 0.00 0.00 +0.173 C ATOM 12 N LIG 1 2.794 1.526 -1.022 0.00 0.00 -0.264 N ATOM 13 C LIG 1 2.814 0.454 -0.162 0.00 0.00 +0.105 A ATOM 14 C LIG 1 4.122 0.404 0.298 0.00 0.00 +0.052 A ATOM 15 C LIG 1 4.782 1.483 -0.305 0.00 0.00 +0.135 A ATOM 16 N LIG 1 3.977 2.176 -1.109 0.00 0.00 -0.179 NA ENDBRANCH 1 13 BRANCH 8 17 ATOM 17 N LIG 1 -1.884 -0.342 0.318 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -2.419 -1.039 -0.195 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.292 1.021 -0.059 0.00 0.00 +0.025 C ATOM 20 C LIG 1 -1.623 2.094 0.813 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -3.812 1.096 0.207 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -2.064 1.270 -1.553 0.00 0.00 +0.031 C ENDBRANCH 17 19 ENDBRANCH 8 17 TORSDOF 3