REMARK Name = BDB060315 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.294 -0.852 -0.458 0.00 0.00 +0.218 A ATOM 2 N LIG 1 0.860 -1.925 -1.086 0.00 0.00 -0.246 N ATOM 3 H LIG 1 0.408 -2.724 -1.511 0.00 0.00 +0.192 HD ATOM 4 N LIG 1 2.199 -1.849 -1.104 0.00 0.00 -0.151 NA ATOM 5 C LIG 1 2.414 -0.689 -0.460 0.00 0.00 +0.183 A ATOM 6 N LIG 1 1.258 -0.060 -0.059 0.00 0.00 -0.193 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 3.731 -0.124 -0.199 0.00 0.00 +0.024 A ATOM 8 C LIG 1 3.852 1.086 0.488 0.00 0.00 +0.031 A ATOM 9 C LIG 1 5.119 1.591 0.718 0.00 0.00 +0.111 A ATOM 10 N LIG 1 6.255 0.982 0.316 0.00 0.00 -0.263 NA ATOM 11 C LIG 1 6.115 -0.187 -0.345 0.00 0.00 +0.111 A ATOM 12 C LIG 1 4.892 -0.773 -0.624 0.00 0.00 +0.031 A ENDBRANCH 5 7 BRANCH 1 15 ATOM 13 O LIG 1 -1.033 1.215 0.998 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -1.623 0.342 0.374 0.00 0.00 +0.250 C ATOM 15 N LIG 1 -1.067 -0.712 -0.327 0.00 0.00 -0.251 N ATOM 16 H LIG 1 -1.671 -1.434 -0.690 0.00 0.00 +0.158 HD BRANCH 14 17 ATOM 17 C LIG 1 -3.112 0.353 0.388 0.00 0.00 +0.037 A ATOM 18 C LIG 1 -3.766 0.752 1.560 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -5.160 0.767 1.613 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -5.904 0.397 0.493 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.258 0.019 -0.684 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -3.862 -0.001 -0.742 0.00 0.00 +0.013 A ENDBRANCH 14 17 ENDBRANCH 1 15 TORSDOF 3