REMARK Name = BDB036342 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.461 2.099 0.273 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.259 1.650 0.881 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -1.013 1.924 0.348 0.00 0.00 -0.030 A ATOM 4 C LIG 1 -1.058 2.698 -0.807 0.00 0.00 -0.040 A ATOM 5 C LIG 1 -2.257 3.193 -1.562 0.00 0.00 +0.036 C ATOM 6 C LIG 1 -1.630 3.599 -2.902 0.00 0.00 +0.009 C ATOM 7 C LIG 1 -0.189 4.021 -2.599 0.00 0.00 +0.036 C ATOM 8 C LIG 1 0.117 3.172 -1.403 0.00 0.00 -0.044 A ATOM 9 C LIG 1 1.370 2.887 -0.879 0.00 0.00 +0.008 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 2.788 1.685 0.922 0.00 0.00 +0.060 C BRANCH 10 11 ATOM 11 C LIG 1 2.973 0.156 0.981 0.00 0.00 -0.034 A ATOM 12 C LIG 1 3.441 -0.495 2.158 0.00 0.00 -0.017 A ATOM 13 C LIG 1 3.767 0.260 3.415 0.00 0.00 +0.046 C ATOM 14 C LIG 1 3.572 -1.903 2.112 0.00 0.00 +0.116 A ATOM 15 N LIG 1 3.985 -2.784 3.082 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 3.942 -4.010 2.578 0.00 0.00 -0.065 NA ATOM 17 N LIG 1 3.498 -3.908 1.313 0.00 0.00 -0.247 N ATOM 18 C LIG 1 3.348 -5.092 0.512 0.00 0.00 +0.175 C ATOM 19 C LIG 1 3.257 -2.608 0.958 0.00 0.00 +0.089 A ATOM 20 C LIG 1 2.811 -1.998 -0.211 0.00 0.00 +0.030 A ATOM 21 C LIG 1 2.680 -0.608 -0.173 0.00 0.00 +0.007 A ENDBRANCH 10 11 BRANCH 10 22 ATOM 22 C LIG 1 4.068 2.404 0.455 0.00 0.00 +0.133 C BRANCH 22 23 ATOM 23 C LIG 1 4.702 1.822 -0.786 0.00 0.00 +0.308 C ATOM 24 O LIG 1 4.323 2.037 -1.929 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 5.757 1.030 -0.446 0.00 0.00 -0.465 OA BRANCH 25 27 ATOM 26 C LIG 1 7.545 1.266 -2.054 0.00 0.00 +0.048 C ATOM 27 C LIG 1 6.431 0.379 -1.532 0.00 0.00 +0.229 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 10 22 ENDBRANCH 1 10 BRANCH 3 28 ATOM 28 C LIG 1 -2.257 1.408 1.036 0.00 0.00 +0.120 C BRANCH 28 29 ATOM 29 N LIG 1 -3.080 0.525 0.205 0.00 0.00 -0.286 NA ATOM 30 C LIG 1 -2.449 -0.745 -0.217 0.00 0.00 +0.106 C ATOM 31 C LIG 1 -1.627 -1.529 0.824 0.00 0.00 +0.031 C ATOM 32 C LIG 1 -3.413 -1.706 -0.908 0.00 0.00 +0.100 A ATOM 33 C LIG 1 -4.497 -2.279 -0.239 0.00 0.00 +0.144 A ATOM 34 C LIG 1 -5.267 -3.225 -0.921 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -4.975 -3.544 -2.242 0.00 0.00 +0.023 A ATOM 36 C LIG 1 -3.902 -2.912 -2.837 0.00 0.00 +0.111 A ATOM 37 O LIG 1 -4.889 -2.053 1.045 0.00 0.00 -0.486 OA ATOM 38 C LIG 1 -4.764 -0.747 1.631 0.00 0.00 +0.187 C ATOM 39 N LIG 1 -3.115 -2.018 -2.203 0.00 0.00 -0.255 NA ATOM 40 C LIG 1 -4.469 0.422 0.670 0.00 0.00 +0.130 C BRANCH 38 41 ATOM 41 C LIG 1 -6.073 -0.497 2.411 0.00 0.00 +0.042 C ATOM 42 C LIG 1 -7.322 -0.448 1.539 0.00 0.00 +0.007 C ENDBRANCH 38 41 ENDBRANCH 28 29 ENDBRANCH 3 28 TORSDOF 9