REMARK Name = BDB006486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.132 -0.163 -5.163 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.240 -0.460 -3.707 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.583 0.075 -2.668 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.142 -0.465 -1.456 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.746 -0.130 -0.229 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.825 0.757 -0.241 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.293 1.285 -1.443 0.00 0.00 +0.037 A ATOM 8 N LIG 1 0.925 -1.299 -1.748 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.669 0.975 -2.657 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.154 -1.317 -3.112 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.231 -2.134 -3.743 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.430 2.227 -1.453 0.00 0.00 +0.244 C ATOM 13 N LIG 1 -4.609 1.881 -0.832 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -5.290 2.622 -0.944 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -3.326 3.315 -2.011 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.121 0.518 -0.628 0.00 0.00 +0.114 C ATOM 17 C LIG 1 -5.881 0.066 -1.877 0.00 0.00 +0.032 C BRANCH 16 18 ATOM 18 C LIG 1 -5.970 0.386 0.658 0.00 0.00 +0.231 C ATOM 19 O LIG 1 -5.101 0.616 1.788 0.00 0.00 -0.480 OA ATOM 20 C LIG 1 -5.808 0.731 2.957 0.00 0.00 +0.163 A ATOM 21 C LIG 1 -7.191 0.925 3.001 0.00 0.00 +0.162 A ATOM 22 C LIG 1 -7.847 0.994 4.229 0.00 0.00 +0.049 A ATOM 23 C LIG 1 -7.116 0.900 5.414 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -5.730 0.740 5.369 0.00 0.00 +0.004 A ATOM 25 O LIG 1 -7.966 1.054 1.877 0.00 0.00 -0.485 OA ATOM 26 C LIG 1 -5.075 0.657 4.139 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -7.165 1.336 0.722 0.00 0.00 +0.275 C ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 1.656 -2.089 -0.756 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 3.021 -1.527 -0.435 0.00 0.00 -0.028 A ATOM 30 C LIG 1 3.195 -0.188 -0.062 0.00 0.00 +0.006 A ATOM 31 C LIG 1 4.462 0.302 0.266 0.00 0.00 +0.009 A ATOM 32 C LIG 1 5.587 -0.535 0.241 0.00 0.00 -0.017 A ATOM 33 C LIG 1 5.410 -1.876 -0.124 0.00 0.00 +0.009 A ATOM 34 C LIG 1 4.143 -2.368 -0.452 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 6.923 -0.011 0.561 0.00 0.00 -0.004 A ATOM 36 C LIG 1 7.608 -0.292 1.762 0.00 0.00 +0.067 A ATOM 37 C LIG 1 8.904 0.216 1.969 0.00 0.00 +0.015 A ATOM 38 C LIG 1 9.525 1.002 0.999 0.00 0.00 +0.001 A ATOM 39 C LIG 1 8.856 1.293 -0.185 0.00 0.00 +0.001 A ATOM 40 C LIG 1 7.571 0.791 -0.401 0.00 0.00 +0.009 A BRANCH 36 41 ATOM 41 C LIG 1 6.975 -1.087 2.848 0.00 0.00 +0.337 C ATOM 42 O LIG 1 5.796 -1.153 3.136 0.00 0.00 -0.245 OA BRANCH 41 43 ATOM 43 O LIG 1 7.889 -1.792 3.543 0.00 0.00 -0.477 OA ATOM 44 H LIG 1 7.349 -2.270 4.207 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 8