REMARK Name = BDB033653 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.720 -1.846 0.532 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.752 -2.954 -0.334 0.00 0.00 -0.046 A ATOM 3 C LIG 1 2.002 -3.370 -1.060 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -0.420 -3.700 -0.525 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.608 -3.366 0.131 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.661 -2.274 1.003 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -0.485 -1.527 1.192 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.933 -0.975 0.811 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 2.327 0.631 -1.974 0.00 0.00 +0.189 C ATOM 10 O LIG 1 3.544 -0.005 -1.563 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 4.483 0.731 -0.916 0.00 0.00 +0.147 A ATOM 12 C LIG 1 4.327 1.432 0.275 0.00 0.00 +0.147 A ATOM 13 C LIG 1 5.428 2.098 0.846 0.00 0.00 +0.032 A ATOM 14 C LIG 1 6.681 2.046 0.240 0.00 0.00 +0.002 A ATOM 15 C LIG 1 6.846 1.321 -0.935 0.00 0.00 +0.004 A ATOM 16 S LIG 1 2.818 1.546 1.183 0.00 0.00 +0.065 S ATOM 17 O LIG 1 3.105 1.088 2.527 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 2.310 2.883 0.950 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 1.733 0.460 0.492 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 5.755 0.662 -1.502 0.00 0.00 +0.047 A ATOM 21 C LIG 1 1.268 0.795 -0.872 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 2.794 3.188 -2.349 0.00 0.00 +0.007 C ATOM 23 C LIG 1 2.507 1.817 -2.946 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 -2.924 -1.849 1.755 0.00 0.00 +0.067 C BRANCH 24 25 ATOM 25 C LIG 1 -3.505 -0.550 1.193 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -3.881 -0.209 -0.101 0.00 0.00 -0.039 A ATOM 27 C LIG 1 -3.754 -1.062 -1.323 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -4.404 1.126 -0.146 0.00 0.00 +0.022 A ATOM 29 C LIG 1 -4.414 1.762 1.079 0.00 0.00 +0.055 A ATOM 30 S LIG 1 -3.768 0.753 2.286 0.00 0.00 -0.089 S BRANCH 29 31 ATOM 31 C LIG 1 -4.890 3.114 1.345 0.00 0.00 +0.167 C ATOM 32 O LIG 1 -5.348 3.829 0.450 0.00 0.00 -0.292 OA ATOM 33 C LIG 1 -4.831 3.651 2.756 0.00 0.00 +0.092 C ENDBRANCH 29 31 ENDBRANCH 24 25 BRANCH 24 34 ATOM 34 C LIG 1 -4.010 -2.931 1.845 0.00 0.00 +0.133 C BRANCH 34 35 ATOM 35 C LIG 1 -4.994 -2.619 2.942 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -4.800 -2.885 4.118 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -6.120 -2.010 2.516 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -6.119 -1.773 1.569 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 24 34 ENDBRANCH 6 24 TORSDOF 9