REMARK Name = BDB046169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.645 0.298 -0.721 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 10 ATOM 2 C LIG 1 -3.591 -0.063 0.544 0.00 0.00 +0.040 A ATOM 3 C LIG 1 -4.923 -0.496 0.560 0.00 0.00 +0.174 A ATOM 4 C LIG 1 -5.607 -1.012 -0.525 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -6.908 -1.308 -0.015 0.00 0.00 +0.121 A ATOM 6 N LIG 1 -6.995 -0.966 1.282 0.00 0.00 -0.077 NA ATOM 7 C LIG 1 -4.937 -1.097 -1.758 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.603 -0.666 -1.831 0.00 0.00 +0.047 A ATOM 9 O LIG 1 -5.754 -0.473 1.636 0.00 0.00 -0.354 OA ATOM 10 C LIG 1 -2.938 -0.162 -0.706 0.00 0.00 +0.127 A BRANCH 5 11 ATOM 11 C LIG 1 -8.053 -1.882 -0.717 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -9.341 -1.367 -0.505 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -10.440 -1.905 -1.178 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -10.265 -2.966 -2.063 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -8.992 -3.495 -2.273 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -7.890 -2.957 -1.602 0.00 0.00 +0.010 A ENDBRANCH 5 11 BRANCH 2 17 ATOM 17 C LIG 1 -2.907 0.492 1.767 0.00 0.00 +0.042 C BRANCH 17 19 ATOM 18 C LIG 1 -2.265 2.569 3.039 0.00 0.00 +0.004 C ATOM 19 C LIG 1 -2.974 2.019 1.812 0.00 0.00 +0.001 C ENDBRANCH 17 19 ENDBRANCH 2 17 ENDBRANCH 1 10 BRANCH 1 20 ATOM 20 C LIG 1 -0.835 -0.019 -1.851 0.00 0.00 +0.229 C BRANCH 20 21 ATOM 21 C LIG 1 0.593 0.445 -1.566 0.00 0.00 +0.044 C BRANCH 21 22 ATOM 22 C LIG 1 1.203 -0.271 -0.359 0.00 0.00 +0.044 C BRANCH 22 23 ATOM 23 C LIG 1 2.631 0.195 -0.089 0.00 0.00 +0.229 C BRANCH 23 24 ATOM 24 O LIG 1 3.111 -0.514 1.054 0.00 0.00 -0.492 OA BRANCH 24 25 ATOM 25 C LIG 1 4.379 -0.228 1.478 0.00 0.00 +0.124 A ATOM 26 C LIG 1 5.268 0.661 0.871 0.00 0.00 +0.091 A ATOM 27 C LIG 1 6.549 0.834 1.400 0.00 0.00 +0.126 A ATOM 28 C LIG 1 6.927 0.169 2.564 0.00 0.00 +0.046 A ATOM 29 C LIG 1 6.042 -0.714 3.177 0.00 0.00 +0.007 A ATOM 30 C LIG 1 4.775 -0.915 2.629 0.00 0.00 +0.046 A BRANCH 27 31 ATOM 31 O LIG 1 7.464 1.695 0.863 0.00 0.00 -0.475 OA BRANCH 31 32 ATOM 32 C LIG 1 7.860 1.457 -0.495 0.00 0.00 +0.200 C ATOM 33 C LIG 1 9.391 1.628 -0.506 0.00 0.00 +0.067 C ATOM 34 C LIG 1 7.263 2.580 -1.358 0.00 0.00 +0.067 C BRANCH 32 35 ATOM 35 C LIG 1 7.548 0.087 -1.154 0.00 0.00 +0.348 C ATOM 36 O LIG 1 6.786 -0.116 -2.088 0.00 0.00 -0.247 OA BRANCH 35 37 ATOM 37 O LIG 1 8.199 -0.951 -0.581 0.00 0.00 -0.478 OA ATOM 38 H LIG 1 7.857 -1.743 -1.046 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 14