REMARK Name = BDB064893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.489 -2.569 0.778 0.00 0.00 +0.201 C ATOM 2 N LIG 1 0.621 -2.304 -0.352 0.00 0.00 -0.267 N ATOM 3 C LIG 1 0.045 -1.039 -0.466 0.00 0.00 +0.222 C ATOM 4 O LIG 1 0.246 -0.155 0.367 0.00 0.00 -0.275 OA ATOM 5 C LIG 1 -0.079 -3.516 -0.785 0.00 0.00 +0.161 C ATOM 6 C LIG 1 0.537 -4.140 -2.024 0.00 0.00 +0.038 C ATOM 7 C LIG 1 0.092 -4.415 0.433 0.00 0.00 +0.237 C ATOM 8 O LIG 1 -0.463 -5.490 0.600 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 1.002 -3.825 1.289 0.00 0.00 -0.280 N ATOM 10 C LIG 1 1.256 -4.268 2.641 0.00 0.00 +0.134 C ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 3.704 -1.448 0.159 0.00 0.00 +0.169 A ATOM 12 C LIG 1 2.961 -2.627 0.359 0.00 0.00 +0.038 A ATOM 13 C LIG 1 3.629 -3.853 0.152 0.00 0.00 +0.043 A ATOM 14 C LIG 1 4.983 -3.882 -0.223 0.00 0.00 +0.130 A ATOM 15 C LIG 1 5.701 -2.699 -0.417 0.00 0.00 +0.082 A ATOM 16 C LIG 1 5.053 -1.478 -0.249 0.00 0.00 +0.164 A BRANCH 14 17 ATOM 17 N LIG 1 5.655 -5.174 -0.414 0.00 0.00 +0.057 N ATOM 18 O LIG 1 5.021 -6.200 -0.132 0.00 0.00 -0.126 OA ATOM 19 O LIG 1 6.817 -5.160 -0.844 0.00 0.00 -0.126 OA ENDBRANCH 14 17 BRANCH 16 20 ATOM 20 O LIG 1 5.681 -0.270 -0.413 0.00 0.00 -0.491 OA ATOM 21 C LIG 1 6.626 -0.213 -1.478 0.00 0.00 +0.277 C ENDBRANCH 16 20 BRANCH 11 22 ATOM 22 O LIG 1 3.059 -0.244 0.241 0.00 0.00 -0.477 OA BRANCH 22 23 ATOM 23 C LIG 1 3.425 0.513 1.394 0.00 0.00 +0.349 C BRANCH 23 24 ATOM 24 C LIG 1 3.658 1.977 1.051 0.00 0.00 +0.345 C ATOM 25 O LIG 1 3.651 2.475 -0.067 0.00 0.00 -0.247 OA BRANCH 24 26 ATOM 26 O LIG 1 3.888 2.673 2.207 0.00 0.00 -0.463 OA BRANCH 26 28 ATOM 27 C LIG 1 4.238 4.724 3.379 0.00 0.00 +0.048 C ATOM 28 C LIG 1 4.089 4.079 2.016 0.00 0.00 +0.229 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 11 22 ENDBRANCH 1 12 BRANCH 3 29 ATOM 29 C LIG 1 -0.857 -0.830 -1.677 0.00 0.00 +0.138 C BRANCH 29 30 ATOM 30 C LIG 1 -1.099 0.625 -2.017 0.00 0.00 +0.045 A ATOM 31 C LIG 1 -2.179 1.330 -1.447 0.00 0.00 +0.140 A ATOM 32 O LIG 1 -2.929 0.627 -0.542 0.00 0.00 -0.455 OA ATOM 33 C LIG 1 -3.948 1.242 0.136 0.00 0.00 +0.140 A ATOM 34 C LIG 1 -4.567 0.463 1.137 0.00 0.00 +0.047 A ATOM 35 C LIG 1 -5.682 0.981 1.804 0.00 0.00 +0.127 A ATOM 36 C LIG 1 -6.123 2.275 1.537 0.00 0.00 +0.046 A ATOM 37 C LIG 1 -5.473 3.048 0.574 0.00 0.00 +0.012 A ATOM 38 C LIG 1 -4.371 2.545 -0.143 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -3.642 3.394 -1.184 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -4.629 3.750 -2.319 0.00 0.00 +0.021 C ATOM 41 C LIG 1 -3.141 4.692 -0.504 0.00 0.00 +0.021 C ATOM 42 C LIG 1 -2.445 2.660 -1.790 0.00 0.00 +0.005 A ATOM 43 C LIG 1 -1.588 3.289 -2.714 0.00 0.00 +0.012 A ATOM 44 C LIG 1 -0.486 2.621 -3.247 0.00 0.00 +0.046 A ATOM 45 C LIG 1 -0.231 1.305 -2.877 0.00 0.00 +0.127 A BRANCH 35 46 ATOM 46 O LIG 1 -6.287 0.216 2.765 0.00 0.00 -0.495 OA ATOM 47 C LIG 1 -7.655 -0.046 2.446 0.00 0.00 +0.277 C ENDBRANCH 35 46 BRANCH 45 48 ATOM 48 O LIG 1 0.857 0.649 -3.393 0.00 0.00 -0.495 OA ATOM 49 C LIG 1 2.056 1.140 -2.785 0.00 0.00 +0.277 C ENDBRANCH 45 48 BRANCH 34 50 ATOM 50 C LIG 1 -4.051 -0.923 1.452 0.00 0.00 +0.163 C BRANCH 50 51 ATOM 51 C LIG 1 -4.607 -1.982 0.536 0.00 0.00 +0.309 C ATOM 52 O LIG 1 -5.703 -2.011 -0.001 0.00 0.00 -0.251 OA BRANCH 51 53 ATOM 53 O LIG 1 -3.755 -3.020 0.378 0.00 0.00 -0.480 OA ATOM 54 H LIG 1 -4.264 -3.654 -0.170 0.00 0.00 +0.295 HD ENDBRANCH 51 53 ENDBRANCH 50 51 ENDBRANCH 34 50 ENDBRANCH 29 30 ENDBRANCH 3 29 TORSDOF 15