REMARK Name = BDB048440 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.792 -1.412 -0.908 0.00 0.00 -0.033 A ATOM 2 C LIG 1 -1.332 -1.167 0.394 0.00 0.00 +0.008 A ATOM 3 C LIG 1 -0.015 -1.464 0.759 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.860 -2.021 -0.173 0.00 0.00 +0.121 A ATOM 5 C LIG 1 0.403 -2.280 -1.467 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -0.911 -1.982 -1.835 0.00 0.00 +0.008 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -3.226 -1.106 -1.294 0.00 0.00 +0.120 C BRANCH 7 8 ATOM 8 N LIG 1 -3.653 0.257 -0.921 0.00 0.00 -0.288 NA BRANCH 8 9 ATOM 9 C LIG 1 -5.122 0.394 -1.005 0.00 0.00 +0.088 C BRANCH 9 10 ATOM 10 C LIG 1 -5.872 -0.223 0.206 0.00 0.00 +0.003 C BRANCH 10 12 ATOM 11 C LIG 1 -6.112 -0.129 2.762 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -5.455 0.466 1.524 0.00 0.00 +0.001 C ENDBRANCH 10 12 BRANCH 10 13 ATOM 13 C LIG 1 -7.399 -0.217 -0.042 0.00 0.00 +0.001 C ATOM 14 C LIG 1 -8.051 1.157 -0.094 0.00 0.00 +0.004 C ENDBRANCH 10 13 ENDBRANCH 9 10 ENDBRANCH 8 9 BRANCH 8 15 ATOM 15 C LIG 1 -2.981 1.261 -1.785 0.00 0.00 +0.205 C BRANCH 15 16 ATOM 16 C LIG 1 -3.065 2.672 -1.206 0.00 0.00 +0.319 C ATOM 17 O LIG 1 -3.497 3.034 -0.124 0.00 0.00 -0.250 OA BRANCH 16 18 ATOM 18 O LIG 1 -2.570 3.592 -2.067 0.00 0.00 -0.480 OA ATOM 19 H LIG 1 -2.658 4.432 -1.569 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 20 ATOM 20 O LIG 1 2.166 -2.359 0.050 0.00 0.00 -0.492 OA BRANCH 20 21 ATOM 21 C LIG 1 2.702 -2.071 1.345 0.00 0.00 +0.235 C BRANCH 21 22 ATOM 22 C LIG 1 4.172 -2.488 1.373 0.00 0.00 +0.100 C BRANCH 22 23 ATOM 23 C LIG 1 5.050 -1.519 0.664 0.00 0.00 +0.086 A ATOM 24 C LIG 1 5.294 -1.371 -0.685 0.00 0.00 +0.126 A ATOM 25 C LIG 1 4.824 -2.042 -1.908 0.00 0.00 +0.088 C ATOM 26 O LIG 1 6.171 -0.335 -0.842 0.00 0.00 -0.440 OA ATOM 27 C LIG 1 6.420 0.098 0.435 0.00 0.00 +0.228 A ATOM 28 N LIG 1 5.774 -0.580 1.366 0.00 0.00 -0.214 NA BRANCH 27 29 ATOM 29 C LIG 1 7.344 1.220 0.583 0.00 0.00 +0.037 A ATOM 30 C LIG 1 7.643 1.706 1.865 0.00 0.00 +0.013 A ATOM 31 C LIG 1 8.522 2.778 2.039 0.00 0.00 +0.001 A ATOM 32 C LIG 1 9.114 3.379 0.930 0.00 0.00 +0.000 A ATOM 33 C LIG 1 8.828 2.910 -0.350 0.00 0.00 +0.001 A ATOM 34 C LIG 1 7.949 1.837 -0.522 0.00 0.00 +0.013 A ENDBRANCH 27 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 14