REMARK Name = BDB006512 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.335 2.553 -4.259 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.458 1.318 -3.436 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.526 0.790 -2.543 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.004 -0.375 -1.975 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.735 -1.139 -1.048 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -2.016 -0.706 -0.689 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.552 0.462 -1.234 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.262 -0.553 -2.508 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.822 1.206 -2.171 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.552 0.465 -3.398 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.845 0.557 -4.135 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.909 0.940 -0.861 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.300 0.692 0.439 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.599 0.400 1.106 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -4.600 1.545 -1.671 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.572 1.167 0.952 0.00 0.00 +0.101 C ATOM 17 C LIG 1 -5.493 2.670 1.256 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.987 0.280 2.126 0.00 0.00 -0.013 A ATOM 19 C LIG 1 -6.452 -1.048 1.911 0.00 0.00 +0.060 A ATOM 20 C LIG 1 -6.801 -1.849 3.022 0.00 0.00 +0.015 A ATOM 21 C LIG 1 -6.694 -1.362 4.323 0.00 0.00 +0.039 A ATOM 22 C LIG 1 -6.231 -0.074 4.526 0.00 0.00 +0.124 A ATOM 23 F LIG 1 -6.115 0.397 5.774 0.00 0.00 -0.205 F ATOM 24 C LIG 1 -5.876 0.739 3.454 0.00 0.00 +0.044 A BRANCH 19 25 ATOM 25 C LIG 1 -6.565 -1.663 0.523 0.00 0.00 +0.418 C ATOM 26 F LIG 1 -7.191 -2.877 0.533 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -5.352 -1.894 -0.049 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -7.278 -0.903 -0.348 0.00 0.00 -0.166 F ENDBRANCH 19 25 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 2.137 -1.690 -2.212 0.00 0.00 +0.157 C BRANCH 29 30 ATOM 30 C LIG 1 3.283 -1.337 -1.294 0.00 0.00 -0.028 A ATOM 31 C LIG 1 4.584 -1.751 -1.612 0.00 0.00 +0.006 A ATOM 32 C LIG 1 5.656 -1.460 -0.762 0.00 0.00 +0.009 A ATOM 33 C LIG 1 5.462 -0.754 0.435 0.00 0.00 -0.018 A ATOM 34 C LIG 1 4.155 -0.354 0.754 0.00 0.00 +0.009 A ATOM 35 C LIG 1 3.081 -0.646 -0.092 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 6.591 -0.443 1.326 0.00 0.00 -0.018 A ATOM 37 C LIG 1 6.843 0.875 1.743 0.00 0.00 +0.008 A ATOM 38 C LIG 1 7.915 1.171 2.589 0.00 0.00 +0.001 A ATOM 39 C LIG 1 8.754 0.153 3.034 0.00 0.00 +0.000 A ATOM 40 C LIG 1 8.522 -1.161 2.634 0.00 0.00 +0.001 A ATOM 41 C LIG 1 7.450 -1.455 1.787 0.00 0.00 +0.008 A ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 7