REMARK Name = BDB010317 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.141 -1.476 -1.046 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.824 -1.498 -0.590 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.286 -2.684 -0.106 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.002 -2.529 0.311 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.293 -1.276 0.071 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.946 -3.850 -0.048 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.192 -3.757 -0.523 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.214 -0.600 -0.464 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.801 -2.651 -1.009 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.478 -0.645 0.305 0.00 0.00 -0.301 N ATOM 11 C LIG 1 3.479 -0.887 -0.758 0.00 0.00 +0.111 C ATOM 12 C LIG 1 4.844 -0.306 -0.366 0.00 0.00 +0.010 C ATOM 13 C LIG 1 5.386 -0.955 0.933 0.00 0.00 -0.005 C ATOM 14 C LIG 1 6.540 -1.926 0.665 0.00 0.00 +0.004 C ATOM 15 C LIG 1 7.703 -1.252 -0.061 0.00 0.00 +0.000 C ATOM 16 C LIG 1 7.265 -0.192 -1.072 0.00 0.00 +0.000 C ATOM 17 C LIG 1 4.267 -1.641 1.731 0.00 0.00 +0.023 C ATOM 18 C LIG 1 5.832 -0.406 -1.540 0.00 0.00 +0.005 C ATOM 19 C LIG 1 2.987 -0.815 1.685 0.00 0.00 +0.108 C ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 -2.783 -0.347 -1.529 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -2.413 0.529 -1.197 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 -4.591 0.472 -2.895 0.00 0.00 +0.028 C ATOM 23 C LIG 1 -4.243 -0.353 -1.651 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 -4.895 0.297 -0.417 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -6.436 0.120 -0.284 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -6.162 -1.076 0.647 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -4.794 -0.441 0.951 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 -3.002 -5.027 -0.493 0.00 0.00 +0.375 C ATOM 29 O LIG 1 -2.633 -6.127 -0.115 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 -4.270 -4.869 -0.943 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 -4.654 -5.765 -0.865 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 0.232 0.804 -0.826 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 0.145 1.783 0.365 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -1.018 1.464 1.326 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -1.460 2.699 2.101 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -2.027 3.772 1.157 0.00 0.00 -0.014 C ATOM 37 C LIG 1 -1.956 5.148 1.821 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -1.333 3.774 -0.217 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.095 3.240 -0.142 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 8