REMARK Name = BDB052047 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.837 0.764 0.916 0.00 0.00 +0.117 A ATOM 2 C LIG 1 -1.802 -0.424 0.207 0.00 0.00 +0.163 A ATOM 3 O LIG 1 -0.506 -0.876 0.244 0.00 0.00 -0.436 OA ATOM 4 C LIG 1 0.165 0.053 0.991 0.00 0.00 +0.235 A ATOM 5 N LIG 1 -0.590 1.035 1.443 0.00 0.00 -0.210 NA ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -5.149 3.366 1.609 0.00 0.00 +0.120 A ATOM 7 C LIG 1 -4.229 3.103 2.622 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -3.144 2.249 2.381 0.00 0.00 +0.014 A ATOM 9 C LIG 1 -2.972 1.641 1.131 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -3.888 1.925 0.113 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -4.971 2.776 0.356 0.00 0.00 +0.046 A BRANCH 6 13 ATOM 12 C LIG 1 -6.450 4.833 2.953 0.00 0.00 +0.277 C ATOM 13 O LIG 1 -6.249 4.173 1.709 0.00 0.00 -0.495 OA ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 14 ATOM 14 C LIG 1 -2.742 -1.284 -0.496 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.041 -1.485 -0.011 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -4.946 -2.309 -0.694 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -4.561 -2.950 -1.870 0.00 0.00 +0.120 A ATOM 18 C LIG 1 -3.264 -2.764 -2.352 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -2.361 -1.942 -1.672 0.00 0.00 +0.015 A BRANCH 17 20 ATOM 20 O LIG 1 -5.342 -3.775 -2.631 0.00 0.00 -0.495 OA ATOM 21 C LIG 1 -6.680 -3.977 -2.194 0.00 0.00 +0.277 C ENDBRANCH 17 20 ENDBRANCH 2 14 BRANCH 4 22 ATOM 22 C LIG 1 1.616 -0.192 1.214 0.00 0.00 +0.324 C BRANCH 22 23 ATOM 23 O LIG 1 2.279 0.031 -0.031 0.00 0.00 -0.483 OA BRANCH 23 24 ATOM 24 C LIG 1 3.633 -0.148 -0.057 0.00 0.00 +0.122 A ATOM 25 C LIG 1 4.441 -0.502 1.023 0.00 0.00 +0.052 A ATOM 26 C LIG 1 5.830 -0.653 0.861 0.00 0.00 -0.005 A ATOM 27 C LIG 1 6.680 -1.036 2.042 0.00 0.00 +0.047 C ATOM 28 C LIG 1 6.407 -0.460 -0.407 0.00 0.00 +0.124 A ATOM 29 C LIG 1 5.599 -0.087 -1.482 0.00 0.00 +0.049 A ATOM 30 C LIG 1 4.222 0.062 -1.304 0.00 0.00 +0.049 A BRANCH 28 31 ATOM 31 O LIG 1 7.769 -0.604 -0.475 0.00 0.00 -0.481 OA BRANCH 31 32 ATOM 32 C LIG 1 8.332 -0.928 -1.747 0.00 0.00 +0.349 C BRANCH 32 33 ATOM 33 C LIG 1 8.826 0.310 -2.479 0.00 0.00 +0.343 C ATOM 34 O LIG 1 9.198 0.313 -3.643 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 8.837 1.423 -1.706 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 8.486 1.220 -0.811 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 11