REMARK Name = BDB047527 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.239 -1.754 -0.952 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.848 -2.739 -0.044 0.00 0.00 +0.049 A ATOM 3 C LIG 1 0.410 -2.647 0.538 0.00 0.00 -0.040 A ATOM 4 C LIG 1 1.017 -3.592 1.525 0.00 0.00 +0.036 C ATOM 5 C LIG 1 2.195 -2.764 2.057 0.00 0.00 +0.013 C ATOM 6 C LIG 1 2.593 -1.741 0.960 0.00 0.00 +0.033 C ATOM 7 C LIG 1 1.292 -1.610 0.214 0.00 0.00 -0.040 A ATOM 8 C LIG 1 0.909 -0.621 -0.674 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -0.359 -0.702 -1.257 0.00 0.00 +0.046 A ENDROOT BRANCH 1 10 ATOM 10 O LIG 1 -2.435 -1.687 -1.611 0.00 0.00 -0.492 OA BRANCH 10 11 ATOM 11 C LIG 1 -3.430 -2.678 -1.353 0.00 0.00 +0.235 C BRANCH 11 12 ATOM 12 C LIG 1 -4.260 -2.366 -0.105 0.00 0.00 +0.100 C BRANCH 12 15 ATOM 13 C LIG 1 -6.939 -1.686 -2.058 0.00 0.00 +0.088 C ATOM 14 C LIG 1 -6.198 -0.911 -1.050 0.00 0.00 +0.126 A ATOM 15 C LIG 1 -5.104 -1.147 -0.242 0.00 0.00 +0.086 A ATOM 16 N LIG 1 -4.864 -0.034 0.534 0.00 0.00 -0.214 NA ATOM 17 C LIG 1 -5.782 0.836 0.157 0.00 0.00 +0.228 A ATOM 18 O LIG 1 -6.634 0.360 -0.806 0.00 0.00 -0.440 OA BRANCH 17 19 ATOM 19 C LIG 1 -6.006 2.201 0.624 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -5.153 2.749 1.595 0.00 0.00 +0.013 A ATOM 21 C LIG 1 -5.342 4.052 2.062 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -6.388 4.826 1.563 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -7.244 4.298 0.599 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -7.054 2.994 0.132 0.00 0.00 +0.013 A ENDBRANCH 17 19 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 C LIG 1 3.824 -2.172 0.132 0.00 0.00 +0.105 C BRANCH 25 26 ATOM 26 C LIG 1 3.611 -3.495 -0.577 0.00 0.00 +0.308 C ATOM 27 O LIG 1 3.767 -4.598 -0.075 0.00 0.00 -0.251 OA BRANCH 26 28 ATOM 28 O LIG 1 3.185 -3.388 -1.848 0.00 0.00 -0.480 OA ATOM 29 H LIG 1 3.035 -4.312 -2.135 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 25 26 BRANCH 25 30 ATOM 30 C LIG 1 4.359 -1.106 -0.850 0.00 0.00 +0.015 C BRANCH 30 31 ATOM 31 C LIG 1 4.824 0.184 -0.168 0.00 0.00 +0.005 C BRANCH 31 32 ATOM 32 C LIG 1 5.461 1.143 -1.177 0.00 0.00 +0.035 C BRANCH 32 33 ATOM 33 C LIG 1 5.912 2.422 -0.517 0.00 0.00 -0.047 A ATOM 34 C LIG 1 5.033 3.506 -0.392 0.00 0.00 +0.003 A ATOM 35 C LIG 1 5.445 4.682 0.236 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.736 4.784 0.749 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.617 3.710 0.636 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.207 2.532 0.008 0.00 0.00 +0.003 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 6 25 TORSDOF 12