REMARK Name = BDB057538 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.329 -0.606 -3.897 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.314 -0.261 -2.848 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -3.412 0.763 -2.753 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -5.555 -0.363 -1.893 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -4.552 -0.901 -2.731 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -4.813 -2.161 -3.289 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -6.037 -2.815 -3.088 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -7.026 -2.236 -2.301 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -6.787 -1.007 -1.696 0.00 0.00 +0.013 A BRANCH 4 10 ATOM 10 C LIG 1 -5.332 0.928 -1.207 0.00 0.00 +0.195 C ATOM 11 O LIG 1 -5.130 1.930 -1.888 0.00 0.00 -0.287 OA BRANCH 10 15 ATOM 12 C LIG 1 -5.379 1.254 3.079 0.00 0.00 +0.120 A ATOM 13 C LIG 1 -5.576 2.374 2.268 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -5.557 2.259 0.876 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -5.348 1.011 0.279 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -5.136 -0.111 1.089 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -5.155 0.012 2.485 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 -5.200 0.406 5.294 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -5.425 1.507 4.422 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 10 15 ENDBRANCH 4 10 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 -1.605 0.658 -4.381 0.00 0.00 +0.326 C ATOM 21 O LIG 1 -1.821 1.806 -4.023 0.00 0.00 -0.249 OA BRANCH 20 22 ATOM 22 OXT LIG 1 -0.691 0.421 -5.348 0.00 0.00 -0.479 OA ATOM 23 HXT LIG 1 -0.349 1.319 -5.548 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 24 ATOM 24 C LIG 1 -1.321 -1.659 -3.396 0.00 0.00 +0.068 C BRANCH 24 25 ATOM 25 C LIG 1 -0.363 -1.193 -2.319 0.00 0.00 -0.045 A ATOM 26 C LIG 1 -0.800 -1.006 -1.004 0.00 0.00 +0.007 A ATOM 27 C LIG 1 0.089 -0.568 -0.019 0.00 0.00 +0.046 A ATOM 28 C LIG 1 1.426 -0.310 -0.326 0.00 0.00 +0.121 A ATOM 29 C LIG 1 1.870 -0.504 -1.633 0.00 0.00 +0.046 A ATOM 30 C LIG 1 0.981 -0.941 -2.623 0.00 0.00 +0.007 A BRANCH 28 31 ATOM 31 O LIG 1 2.180 0.106 0.736 0.00 0.00 -0.490 OA BRANCH 31 32 ATOM 32 C LIG 1 3.534 0.503 0.500 0.00 0.00 +0.248 C BRANCH 32 33 ATOM 33 C LIG 1 4.483 -0.698 0.609 0.00 0.00 +0.150 C BRANCH 33 34 ATOM 34 N LIG 1 5.841 -0.350 0.189 0.00 0.00 -0.285 N ATOM 35 C LIG 1 6.433 -1.142 -0.877 0.00 0.00 +0.134 C BRANCH 34 36 ATOM 36 C LIG 1 6.695 0.203 1.084 0.00 0.00 +0.291 A ATOM 37 O LIG 1 6.154 0.743 2.223 0.00 0.00 -0.424 OA ATOM 38 C LIG 1 7.226 1.227 2.908 0.00 0.00 +0.157 A ATOM 39 C LIG 1 8.358 0.959 2.160 0.00 0.00 +0.111 A ATOM 40 C LIG 1 9.607 1.362 2.651 0.00 0.00 +0.031 A ATOM 41 C LIG 1 9.647 2.025 3.887 0.00 0.00 +0.002 A ATOM 42 C LIG 1 8.476 2.276 4.614 0.00 0.00 +0.004 A ATOM 43 C LIG 1 7.221 1.877 4.136 0.00 0.00 +0.048 A ATOM 44 N LIG 1 8.006 0.310 1.005 0.00 0.00 -0.195 NA ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 14