REMARK Name = BDB033640 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.420 -1.791 0.636 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.174 -2.765 1.623 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.237 -3.232 2.579 0.00 0.00 +0.044 C ATOM 4 C LIG 1 1.116 -3.309 1.739 0.00 0.00 +0.004 A ATOM 5 C LIG 1 2.152 -2.915 0.888 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.922 -1.979 -0.123 0.00 0.00 -0.038 A ATOM 7 C LIG 1 0.631 -1.429 -0.230 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.768 -1.115 0.459 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -3.206 1.716 -0.875 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.170 0.665 -0.703 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -4.765 0.624 0.527 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -4.155 0.786 1.772 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -4.919 0.686 2.948 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -6.286 0.419 2.882 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -6.893 0.235 1.644 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -2.408 1.020 1.991 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -2.176 2.450 1.982 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -2.018 0.211 3.126 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -1.687 0.359 0.616 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -6.134 0.329 0.476 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -1.801 1.142 -0.643 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -2.474 3.404 -2.655 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -3.380 2.232 -2.313 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 3.011 -1.470 -1.074 0.00 0.00 +0.069 C BRANCH 24 25 ATOM 25 C LIG 1 3.506 -0.111 -0.592 0.00 0.00 -0.001 A ATOM 26 S LIG 1 3.268 1.281 -1.565 0.00 0.00 -0.090 S ATOM 27 C LIG 1 3.985 2.319 -0.406 0.00 0.00 +0.055 A ATOM 28 C LIG 1 4.413 1.607 0.699 0.00 0.00 +0.019 A ATOM 29 C LIG 1 4.138 0.212 0.593 0.00 0.00 +0.012 A BRANCH 27 30 ATOM 30 C LIG 1 4.062 3.750 -0.680 0.00 0.00 +0.167 C ATOM 31 O LIG 1 3.669 4.276 -1.723 0.00 0.00 -0.292 OA ATOM 32 C LIG 1 4.669 4.615 0.400 0.00 0.00 +0.092 C ENDBRANCH 27 30 ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 4.195 -2.439 -1.329 0.00 0.00 +0.107 C ATOM 34 C LIG 1 5.207 -1.910 -2.352 0.00 0.00 +0.020 C BRANCH 33 35 ATOM 35 C LIG 1 3.699 -3.779 -1.821 0.00 0.00 +0.308 C ATOM 36 O LIG 1 3.972 -4.861 -1.326 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 2.929 -3.709 -2.922 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 2.696 -4.644 -3.109 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 24 33 ENDBRANCH 6 24 TORSDOF 9