REMARK Name = BDB063007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.394 2.666 -0.567 0.00 0.00 +0.150 C ATOM 2 N LIG 1 1.030 2.199 -0.622 0.00 0.00 -0.333 N ATOM 3 C LIG 1 0.553 0.972 -0.201 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -0.797 1.010 -0.536 0.00 0.00 +0.097 A ATOM 5 N LIG 1 -1.120 2.207 -1.140 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 -0.008 2.899 -1.165 0.00 0.00 +0.200 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 1.392 -0.076 0.373 0.00 0.00 +0.003 A ATOM 8 C LIG 1 2.000 0.097 1.617 0.00 0.00 +0.030 A ATOM 9 C LIG 1 2.783 -0.931 2.115 0.00 0.00 +0.111 A ATOM 10 N LIG 1 2.994 -2.095 1.466 0.00 0.00 -0.263 NA ATOM 11 C LIG 1 2.386 -2.244 0.269 0.00 0.00 +0.111 A ATOM 12 C LIG 1 1.585 -1.275 -0.313 0.00 0.00 +0.030 A ENDBRANCH 3 7 BRANCH 4 13 ATOM 13 C LIG 1 -1.789 -0.039 -0.346 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -2.786 -0.217 -1.316 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -3.755 -1.214 -1.172 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -3.742 -2.038 -0.049 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -2.768 -1.861 0.931 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -1.800 -0.863 0.787 0.00 0.00 +0.010 A ENDBRANCH 4 13 TORSDOF 2