REMARK Name = BDB057480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.674 -0.801 -2.460 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.276 -1.956 -1.788 0.00 0.00 +0.046 A ATOM 3 C LIG 1 2.232 -2.759 -1.163 0.00 0.00 +0.007 A ATOM 4 C LIG 1 3.591 -2.423 -1.218 0.00 0.00 -0.045 A ATOM 5 C LIG 1 3.981 -1.265 -1.906 0.00 0.00 +0.007 A ATOM 6 C LIG 1 3.025 -0.464 -2.533 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 0.793 -0.002 -3.137 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 -0.260 0.495 -2.299 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 -1.097 1.468 -3.125 0.00 0.00 +0.097 C BRANCH 9 12 ATOM 10 C LIG 1 -1.344 4.623 -2.268 0.00 0.00 +0.053 C ATOM 11 C LIG 1 -2.242 3.476 -1.965 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -2.153 2.141 -2.312 0.00 0.00 +0.057 A ATOM 13 N LIG 1 -3.189 1.353 -1.833 0.00 0.00 -0.229 NA ATOM 14 C LIG 1 -4.065 2.053 -1.141 0.00 0.00 +0.161 A ATOM 15 S LIG 1 -3.657 3.732 -1.034 0.00 0.00 -0.057 S BRANCH 14 16 ATOM 16 N LIG 1 -5.171 1.500 -0.570 0.00 0.00 -0.307 N ATOM 17 C LIG 1 -6.152 2.277 0.189 0.00 0.00 +0.126 C ATOM 18 C LIG 1 -7.508 1.557 0.279 0.00 0.00 +0.130 C ATOM 19 N LIG 1 -7.402 0.181 0.766 0.00 0.00 -0.264 N ATOM 20 C LIG 1 -8.474 -0.520 1.275 0.00 0.00 +0.403 C ATOM 21 O LIG 1 -8.396 -1.665 1.701 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 -6.102 -0.470 0.632 0.00 0.00 +0.130 C ATOM 23 C LIG 1 -5.311 0.037 -0.584 0.00 0.00 +0.126 C BRANCH 20 24 ATOM 24 O LIG 1 -9.617 0.211 1.234 0.00 0.00 -0.445 OA BRANCH 24 25 ATOM 25 C LIG 1 -10.878 -0.340 1.696 0.00 0.00 +0.107 C ATOM 26 C LIG 1 -11.901 0.776 1.438 0.00 0.00 +0.055 C ATOM 27 C LIG 1 -11.283 -1.577 0.887 0.00 0.00 +0.055 C ATOM 28 C LIG 1 -10.836 -0.630 3.200 0.00 0.00 +0.055 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 29 ATOM 29 C LIG 1 4.620 -3.308 -0.549 0.00 0.00 +0.068 C BRANCH 29 30 ATOM 30 CA LIG 1 5.036 -2.798 0.843 0.00 0.00 +0.184 C BRANCH 30 31 ATOM 31 C LIG 1 5.377 -3.946 1.804 0.00 0.00 +0.326 C ATOM 32 O LIG 1 6.402 -4.141 2.433 0.00 0.00 -0.249 OA BRANCH 31 33 ATOM 33 OXT LIG 1 4.346 -4.808 1.969 0.00 0.00 -0.479 OA ATOM 34 HXT LIG 1 4.684 -5.443 2.635 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 BRANCH 30 35 ATOM 35 N LIG 1 6.067 -1.735 0.794 0.00 0.00 -0.331 N ATOM 36 H LIG 1 5.636 -0.825 0.585 0.00 0.00 +0.147 HD BRANCH 35 37 ATOM 37 C LIG 1 7.310 -1.829 0.163 0.00 0.00 +0.039 A ATOM 38 C LIG 1 8.055 -0.656 -0.111 0.00 0.00 +0.043 A ATOM 39 C LIG 1 9.324 -0.707 -0.712 0.00 0.00 +0.013 A ATOM 40 C LIG 1 9.905 -1.936 -1.000 0.00 0.00 +0.001 A ATOM 41 C LIG 1 9.221 -3.104 -0.686 0.00 0.00 +0.002 A ATOM 42 C LIG 1 7.947 -3.047 -0.104 0.00 0.00 +0.023 A BRANCH 38 43 ATOM 43 C LIG 1 7.478 0.677 0.197 0.00 0.00 +0.195 C ATOM 44 O LIG 1 6.331 0.929 -0.166 0.00 0.00 -0.287 OA BRANCH 43 45 ATOM 45 C LIG 1 8.262 1.695 0.944 0.00 0.00 +0.022 A ATOM 46 C LIG 1 9.241 1.329 1.877 0.00 0.00 +0.012 A ATOM 47 C LIG 1 9.945 2.314 2.571 0.00 0.00 +0.001 A ATOM 48 C LIG 1 9.668 3.663 2.346 0.00 0.00 +0.000 A ATOM 49 C LIG 1 8.680 4.030 1.430 0.00 0.00 +0.001 A ATOM 50 C LIG 1 7.974 3.048 0.734 0.00 0.00 +0.012 A ENDBRANCH 43 45 ENDBRANCH 38 43 ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 29 30 ENDBRANCH 4 29 TORSDOF 15