REMARK Name = BDB052883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.241 -0.006 -1.841 0.00 0.00 +0.217 C ATOM 2 N LIG 1 -1.548 0.379 -1.819 0.00 0.00 -0.310 N ATOM 3 H LIG 1 -2.026 0.107 -2.674 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.180 -0.518 -2.880 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 6 ATOM 5 C LIG 1 0.959 1.787 -0.511 0.00 0.00 +0.001 C ATOM 6 C LIG 1 0.661 0.262 -0.630 0.00 0.00 +0.081 C ATOM 7 C LIG 1 1.944 -0.597 -0.763 0.00 0.00 +0.047 C ATOM 8 C LIG 1 3.065 -0.146 0.178 0.00 0.00 +0.067 C ATOM 9 C LIG 1 3.449 1.328 -0.077 0.00 0.00 +0.035 C ATOM 10 C LIG 1 2.412 2.092 -0.909 0.00 0.00 +0.007 C BRANCH 5 12 ATOM 11 C LIG 1 0.584 3.850 0.966 0.00 0.00 +0.004 C ATOM 12 C LIG 1 0.616 2.329 0.897 0.00 0.00 +0.001 C ENDBRANCH 5 12 BRANCH 8 13 ATOM 13 O LIG 1 2.538 -0.246 1.513 0.00 0.00 -0.389 OA ATOM 14 H LIG 1 3.250 -0.014 2.135 0.00 0.00 +0.210 HD ENDBRANCH 8 13 BRANCH 8 15 ATOM 15 C LIG 1 4.293 -1.082 0.133 0.00 0.00 +0.039 C BRANCH 15 16 ATOM 16 C LIG 1 4.896 -1.312 -1.257 0.00 0.00 +0.038 C BRANCH 16 17 ATOM 17 C LIG 1 6.185 -2.094 -1.172 0.00 0.00 -0.047 A ATOM 18 C LIG 1 6.166 -3.494 -1.142 0.00 0.00 +0.003 A ATOM 19 C LIG 1 7.356 -4.216 -1.045 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.575 -3.545 -0.973 0.00 0.00 +0.000 A ATOM 21 C LIG 1 8.605 -2.152 -0.997 0.00 0.00 +0.000 A ATOM 22 C LIG 1 7.416 -1.428 -1.094 0.00 0.00 +0.003 A ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 1 6 BRANCH 2 23 ATOM 23 C LIG 1 -2.437 0.612 -0.669 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 C LIG 1 -3.406 -0.597 -0.500 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 O LIG 1 -4.144 -0.799 -1.714 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 -4.814 -0.096 -1.769 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -2.665 -1.902 -0.106 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 O LIG 1 -1.966 -1.672 1.115 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -1.192 -2.263 1.119 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -3.653 -3.074 0.060 0.00 0.00 +0.037 C BRANCH 30 31 ATOM 31 C LIG 1 -3.068 -4.454 0.434 0.00 0.00 -0.015 C ATOM 32 C LIG 1 -2.701 -4.577 1.913 0.00 0.00 +0.007 C ATOM 33 C LIG 1 -1.893 -4.865 -0.452 0.00 0.00 +0.007 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 24 27 ENDBRANCH 23 24 BRANCH 23 34 ATOM 34 C LIG 1 -3.167 1.950 -0.923 0.00 0.00 +0.028 C BRANCH 34 35 ATOM 35 C LIG 1 -4.183 2.392 0.152 0.00 0.00 -0.009 C ATOM 36 C LIG 1 -3.548 2.451 1.554 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -4.317 3.379 2.485 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -4.304 4.821 1.975 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -4.192 4.926 0.454 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -4.840 3.735 -0.243 0.00 0.00 +0.003 C ENDBRANCH 34 35 ENDBRANCH 23 34 ENDBRANCH 2 23 TORSDOF 15