REMARK Name = BDB013604 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.437 0.441 1.042 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.476 -0.655 1.927 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.724 -1.094 2.719 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -1.660 -1.403 2.038 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.797 -1.074 1.297 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -2.788 0.030 0.440 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -1.605 0.783 0.334 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 0.816 1.257 0.794 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 4.296 1.332 0.103 0.00 0.00 +0.189 C ATOM 10 O LIG 1 5.036 0.620 -0.895 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 4.464 -0.255 -1.766 0.00 0.00 +0.147 A ATOM 12 C LIG 1 3.135 -0.388 -2.160 0.00 0.00 +0.147 A ATOM 13 C LIG 1 2.765 -1.396 -3.070 0.00 0.00 +0.032 A ATOM 14 C LIG 1 3.720 -2.264 -3.597 0.00 0.00 +0.002 A ATOM 15 C LIG 1 5.049 -2.130 -3.222 0.00 0.00 +0.004 A ATOM 16 S LIG 1 1.868 0.706 -1.604 0.00 0.00 +0.065 S ATOM 17 O LIG 1 2.264 2.063 -1.917 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 0.596 0.209 -2.100 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 1.880 0.496 0.082 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 5.413 -1.132 -2.319 0.00 0.00 +0.047 A ATOM 21 C LIG 1 3.198 0.498 0.786 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 6.081 0.669 1.842 0.00 0.00 +0.007 C ATOM 23 C LIG 1 5.343 1.802 1.139 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 -3.978 0.374 -0.460 0.00 0.00 +0.062 C BRANCH 24 25 ATOM 25 C LIG 1 -5.313 0.337 0.282 0.00 0.00 -0.004 A ATOM 26 C LIG 1 -6.254 -0.693 0.140 0.00 0.00 +0.130 A ATOM 27 F LIG 1 -6.013 -1.732 -0.670 0.00 0.00 -0.205 F ATOM 28 C LIG 1 -7.457 -0.685 0.841 0.00 0.00 +0.077 A ATOM 29 C LIG 1 -7.726 0.358 1.712 0.00 0.00 +0.126 A ATOM 30 F LIG 1 -8.877 0.370 2.396 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -6.813 1.389 1.894 0.00 0.00 +0.039 A ATOM 32 C LIG 1 -5.613 1.381 1.180 0.00 0.00 +0.010 A ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 -3.911 -0.438 -1.769 0.00 0.00 +0.133 C BRANCH 33 34 ATOM 34 C LIG 1 -2.699 -0.017 -2.552 0.00 0.00 +0.306 C ATOM 35 O LIG 1 -2.537 1.082 -3.060 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -1.732 -0.953 -2.543 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 -0.883 -0.458 -2.685 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 24 33 ENDBRANCH 6 24 TORSDOF 8