REMARK Name = BDB007473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.401 0.900 1.233 0.00 0.00 -0.265 OA ATOM 2 C LIG 1 0.613 0.033 0.401 0.00 0.00 +0.281 A ATOM 3 N LIG 1 -0.287 -0.788 -0.268 0.00 0.00 -0.201 N ATOM 4 N LIG 1 0.413 -1.657 -1.108 0.00 0.00 -0.295 N ATOM 5 H LIG 1 -0.008 -1.756 -2.033 0.00 0.00 +0.187 HD ATOM 6 C LIG 1 1.725 -1.267 -1.053 0.00 0.00 +0.116 A ATOM 7 C LIG 1 1.976 -0.310 -0.143 0.00 0.00 +0.067 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.691 -0.818 -0.259 0.00 0.00 +0.156 A ATOM 9 N LIG 1 -2.298 -1.645 -1.153 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 -3.647 -1.681 -1.164 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -4.444 -0.920 -0.330 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -3.825 -0.064 0.581 0.00 0.00 -0.017 A ATOM 13 C LIG 1 -2.426 -0.016 0.611 0.00 0.00 +0.054 A BRANCH 12 14 ATOM 14 C LIG 1 -4.650 0.783 1.510 0.00 0.00 +0.191 C BRANCH 14 15 ATOM 15 O LIG 1 -5.465 1.673 0.760 0.00 0.00 -0.390 OA ATOM 16 H LIG 1 -4.921 2.015 0.030 0.00 0.00 +0.210 HD ENDBRANCH 14 15 ENDBRANCH 12 14 ENDBRANCH 3 8 BRANCH 7 17 ATOM 17 C LIG 1 3.252 0.323 0.178 0.00 0.00 +0.007 A ATOM 18 C LIG 1 3.331 1.606 0.718 0.00 0.00 +0.119 A ATOM 19 N LIG 1 4.489 2.244 1.029 0.00 0.00 -0.263 NA ATOM 20 C LIG 1 5.634 1.570 0.806 0.00 0.00 +0.111 A ATOM 21 C LIG 1 5.676 0.290 0.284 0.00 0.00 +0.020 A ATOM 22 C LIG 1 4.471 -0.336 -0.031 0.00 0.00 +0.012 A ENDBRANCH 7 17 TORSDOF 4