REMARK Name = BDB046695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.131 -0.088 -3.800 0.00 0.00 +0.044 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.900 -0.852 -2.724 0.00 0.00 +0.229 C BRANCH 2 3 ATOM 3 O LIG 1 -1.714 0.073 -1.995 0.00 0.00 -0.492 OA BRANCH 3 5 ATOM 4 C LIG 1 -3.833 -0.790 -1.276 0.00 0.00 -0.002 A ATOM 5 C LIG 1 -2.465 -0.581 -1.054 0.00 0.00 +0.124 A ATOM 6 C LIG 1 -1.863 -0.955 0.151 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -2.620 -1.577 1.143 0.00 0.00 +0.050 A ATOM 8 C LIG 1 -3.982 -1.794 0.936 0.00 0.00 +0.129 A ATOM 9 C LIG 1 -4.584 -1.422 -0.271 0.00 0.00 +0.053 A BRANCH 4 10 ATOM 10 C LIG 1 -4.519 -0.343 -2.544 0.00 0.00 +0.038 C BRANCH 10 12 ATOM 11 C LIG 1 -4.470 2.175 -2.131 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -5.332 0.945 -2.378 0.00 0.00 +0.001 C ENDBRANCH 10 12 ENDBRANCH 4 10 BRANCH 8 13 ATOM 13 O LIG 1 -4.674 -2.433 1.939 0.00 0.00 -0.456 OA BRANCH 13 14 ATOM 14 C LIG 1 -5.866 -1.871 2.340 0.00 0.00 +0.128 A ATOM 15 C LIG 1 -6.020 -0.502 2.576 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -7.251 -0.008 3.011 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -8.318 -0.880 3.224 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -8.155 -2.250 3.012 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -6.927 -2.746 2.575 0.00 0.00 +0.046 A ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 3 5 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 0.720 1.072 -3.274 0.00 0.00 +0.044 C BRANCH 20 21 ATOM 21 C LIG 1 1.763 0.648 -2.242 0.00 0.00 +0.229 C BRANCH 21 22 ATOM 22 O LIG 1 2.582 1.782 -1.955 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 3.562 1.621 -1.015 0.00 0.00 +0.121 A ATOM 24 C LIG 1 3.866 0.438 -0.338 0.00 0.00 +0.052 A ATOM 25 C LIG 1 4.898 0.404 0.616 0.00 0.00 -0.002 A ATOM 26 C LIG 1 5.202 -0.874 1.340 0.00 0.00 +0.043 C ATOM 27 C LIG 1 6.086 -0.611 2.553 0.00 0.00 +0.064 C ATOM 28 C LIG 1 7.208 0.376 2.200 0.00 0.00 +0.203 C ATOM 29 O LIG 1 6.667 1.629 1.764 0.00 0.00 -0.474 OA ATOM 30 C LIG 1 8.023 0.680 3.464 0.00 0.00 +0.068 C ATOM 31 C LIG 1 5.642 1.561 0.862 0.00 0.00 +0.125 A ATOM 32 C LIG 1 5.337 2.745 0.195 0.00 0.00 +0.049 A ATOM 33 C LIG 1 4.303 2.772 -0.742 0.00 0.00 +0.049 A BRANCH 28 34 ATOM 34 C LIG 1 8.190 -0.234 1.182 0.00 0.00 +0.349 C ATOM 35 O LIG 1 8.383 -1.426 0.987 0.00 0.00 -0.246 OA BRANCH 34 36 ATOM 36 O LIG 1 8.907 0.681 0.496 0.00 0.00 -0.478 OA ATOM 37 H LIG 1 9.466 0.153 -0.110 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 28 34 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 13