REMARK Name = BDB033673 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.692 -1.063 -0.521 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.271 -2.402 -0.625 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.216 -3.516 -0.984 0.00 0.00 +0.044 C ATOM 4 C LIG 1 1.076 -2.710 -0.384 0.00 0.00 +0.004 A ATOM 5 C LIG 1 2.000 -1.715 -0.054 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.607 -0.376 0.039 0.00 0.00 -0.038 A ATOM 7 C LIG 1 0.256 -0.071 -0.196 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -2.125 -0.625 -0.764 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -4.625 -1.141 1.464 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -5.083 -1.359 0.118 0.00 0.00 -0.485 OA ATOM 11 C LIG 1 -5.567 -0.298 -0.590 0.00 0.00 +0.150 A ATOM 12 C LIG 1 -5.035 0.981 -0.680 0.00 0.00 +0.165 A ATOM 13 C LIG 1 -5.675 1.908 -1.490 0.00 0.00 +0.143 A ATOM 14 N LIG 1 -6.795 1.641 -2.203 0.00 0.00 -0.261 NA ATOM 15 C LIG 1 -7.283 0.389 -2.116 0.00 0.00 +0.114 A ATOM 16 S LIG 1 -3.550 1.516 0.072 0.00 0.00 +0.066 S ATOM 17 O LIG 1 -2.807 2.261 -0.923 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -3.903 2.124 1.337 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.682 0.117 0.394 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -6.705 -0.601 -1.341 0.00 0.00 +0.067 A ATOM 21 C LIG 1 -3.141 -0.729 1.520 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -5.276 -0.350 3.820 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -5.636 -0.376 2.342 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.576 0.748 0.406 0.00 0.00 +0.069 C BRANCH 24 25 ATOM 25 C LIG 1 3.801 0.815 -0.503 0.00 0.00 +0.002 A ATOM 26 S LIG 1 5.221 -0.096 -0.253 0.00 0.00 -0.086 S ATOM 27 C LIG 1 6.014 0.550 -1.628 0.00 0.00 +0.096 A ATOM 28 C LIG 1 5.191 1.444 -2.290 0.00 0.00 +0.138 A ATOM 29 C LIG 1 3.925 1.591 -1.643 0.00 0.00 +0.058 A BRANCH 27 30 ATOM 30 C LIG 1 7.376 0.143 -1.978 0.00 0.00 +0.170 C ATOM 31 O LIG 1 7.963 0.531 -2.992 0.00 0.00 -0.292 OA ATOM 32 C LIG 1 8.111 -0.807 -1.057 0.00 0.00 +0.092 C ENDBRANCH 27 30 BRANCH 28 33 ATOM 33 O LIG 1 5.629 2.066 -3.414 0.00 0.00 -0.494 OA ATOM 34 C LIG 1 4.685 2.914 -4.051 0.00 0.00 +0.277 C ENDBRANCH 28 33 ENDBRANCH 24 25 BRANCH 24 35 ATOM 35 C LIG 1 2.789 0.919 1.928 0.00 0.00 +0.107 C ATOM 36 C LIG 1 3.652 2.131 2.291 0.00 0.00 +0.020 C BRANCH 35 37 ATOM 37 C LIG 1 3.306 -0.309 2.642 0.00 0.00 +0.308 C ATOM 38 O LIG 1 4.467 -0.645 2.797 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 O LIG 1 2.317 -1.050 3.182 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 2.785 -1.795 3.613 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 24 35 ENDBRANCH 6 24 TORSDOF 10