REMARK Name = BDB053624 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.788 -0.831 0.450 0.00 0.00 -0.043 A ATOM 2 C LIG 1 1.092 0.174 1.130 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.305 0.159 1.160 0.00 0.00 +0.162 A ATOM 4 C LIG 1 -1.040 -0.871 0.554 0.00 0.00 +0.162 A ATOM 5 C LIG 1 -0.341 -1.879 -0.114 0.00 0.00 +0.050 A ATOM 6 C LIG 1 1.060 -1.855 -0.172 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 3.298 -0.793 0.369 0.00 0.00 +0.050 C BRANCH 7 8 ATOM 8 C LIG 1 3.801 0.153 -0.733 0.00 0.00 +0.102 C BRANCH 8 9 ATOM 9 C LIG 1 3.600 -0.454 -2.106 0.00 0.00 +0.308 C ATOM 10 O LIG 1 3.628 -1.638 -2.403 0.00 0.00 -0.251 OA BRANCH 9 11 ATOM 11 O LIG 1 3.411 0.482 -3.060 0.00 0.00 -0.480 OA ATOM 12 H LIG 1 3.304 -0.037 -3.886 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 8 9 BRANCH 8 13 ATOM 13 C LIG 1 5.277 0.556 -0.556 0.00 0.00 +0.015 C BRANCH 13 14 ATOM 14 C LIG 1 6.255 -0.616 -0.422 0.00 0.00 +0.001 C BRANCH 14 16 ATOM 15 C LIG 1 8.676 -1.273 -0.159 0.00 0.00 +0.004 C ATOM 16 C LIG 1 7.700 -0.120 -0.336 0.00 0.00 -0.003 C ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 17 ATOM 17 O LIG 1 -0.949 1.157 1.847 0.00 0.00 -0.488 OA BRANCH 17 18 ATOM 18 C LIG 1 -1.093 2.326 1.021 0.00 0.00 +0.229 C BRANCH 18 19 ATOM 19 C LIG 1 -0.876 3.554 1.912 0.00 0.00 +0.044 C BRANCH 19 20 ATOM 20 C LIG 1 -0.820 4.901 1.172 0.00 0.00 -0.008 C ATOM 21 C LIG 1 0.495 5.073 0.383 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.387 6.072 -0.774 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -0.649 7.156 -0.505 0.00 0.00 +0.000 C ATOM 24 C LIG 1 -2.048 6.573 -0.290 0.00 0.00 +0.000 C ATOM 25 C LIG 1 -2.040 5.148 0.277 0.00 0.00 +0.003 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 3 17 BRANCH 4 26 ATOM 26 O LIG 1 -2.400 -0.781 0.667 0.00 0.00 -0.488 OA BRANCH 26 27 ATOM 27 C LIG 1 -3.220 -1.842 0.177 0.00 0.00 +0.229 C BRANCH 27 28 ATOM 28 C LIG 1 -3.314 -2.970 1.207 0.00 0.00 +0.044 C BRANCH 28 29 ATOM 29 C LIG 1 -4.190 -4.171 0.806 0.00 0.00 -0.008 C ATOM 30 C LIG 1 -3.613 -4.943 -0.389 0.00 0.00 +0.003 C ATOM 31 C LIG 1 -4.466 -6.169 -0.723 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -5.923 -5.790 -0.969 0.00 0.00 +0.000 C ATOM 33 C LIG 1 -6.504 -5.006 0.206 0.00 0.00 +0.000 C ATOM 34 C LIG 1 -5.653 -3.781 0.544 0.00 0.00 +0.003 C ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 15