REMARK Name = BDB052884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.638 -1.833 -0.079 0.00 0.00 +0.079 C ATOM 2 C LIG 1 -2.864 -3.156 0.696 0.00 0.00 +0.142 C ATOM 3 C LIG 1 -4.316 -3.628 0.478 0.00 0.00 +0.113 C ATOM 4 N LIG 1 -5.352 -2.694 0.931 0.00 0.00 -0.311 NA ATOM 5 H LIG 1 -6.077 -2.659 0.209 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 -4.846 -1.328 1.124 0.00 0.00 +0.113 C ATOM 7 C LIG 1 -3.842 -0.862 0.051 0.00 0.00 +0.142 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 1.166 -0.069 1.074 0.00 0.00 +0.121 A ATOM 9 C LIG 1 1.021 -0.709 -0.156 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -0.211 -1.262 -0.520 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -1.319 -1.188 0.339 0.00 0.00 -0.039 A ATOM 12 C LIG 1 -1.162 -0.545 1.575 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.067 0.020 1.929 0.00 0.00 +0.046 A BRANCH 8 14 ATOM 14 O LIG 1 2.311 0.520 1.539 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 3.525 0.147 0.875 0.00 0.00 +0.231 C BRANCH 15 16 ATOM 16 C LIG 1 4.691 0.766 1.643 0.00 0.00 +0.069 C BRANCH 16 17 ATOM 17 C LIG 1 6.036 0.369 1.048 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 O LIG 1 6.115 0.681 -0.339 0.00 0.00 -0.375 OA BRANCH 18 19 ATOM 19 C LIG 1 6.502 2.027 -0.622 0.00 0.00 +0.198 C BRANCH 19 21 ATOM 20 C LIG 1 8.838 1.625 -1.532 0.00 0.00 +0.125 A ATOM 21 C LIG 1 8.000 2.197 -0.565 0.00 0.00 +0.020 A ATOM 22 C LIG 1 8.590 2.931 0.477 0.00 0.00 +0.009 A ATOM 23 C LIG 1 9.977 3.093 0.542 0.00 0.00 +0.001 A ATOM 24 C LIG 1 10.792 2.530 -0.437 0.00 0.00 +0.004 A ATOM 25 C LIG 1 10.223 1.803 -1.480 0.00 0.00 +0.046 A BRANCH 20 27 ATOM 26 C LIG 1 8.516 -0.465 -2.445 0.00 0.00 +0.277 C ATOM 27 O LIG 1 8.291 0.939 -2.588 0.00 0.00 -0.495 OA ENDBRANCH 20 27 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 28 ATOM 28 O LIG 1 -1.947 -4.147 0.187 0.00 0.00 -0.372 OA BRANCH 28 29 ATOM 29 C LIG 1 -1.631 -5.152 1.153 0.00 0.00 +0.193 C BRANCH 29 30 ATOM 30 C LIG 1 -0.676 -6.193 0.551 0.00 0.00 +0.165 C BRANCH 30 31 ATOM 31 O LIG 1 -0.380 -7.191 1.529 0.00 0.00 -0.387 OA ATOM 32 H LIG 1 -1.175 -7.745 1.627 0.00 0.00 +0.210 HD ENDBRANCH 30 31 BRANCH 30 33 ATOM 33 C LIG 1 0.632 -5.554 0.061 0.00 0.00 +0.189 C BRANCH 33 34 ATOM 34 O LIG 1 0.426 -4.724 -1.079 0.00 0.00 -0.392 OA ATOM 35 H LIG 1 -0.376 -4.192 -0.890 0.00 0.00 +0.210 HD ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 2 28 BRANCH 7 36 ATOM 36 O LIG 1 -4.548 -0.804 -1.208 0.00 0.00 -0.370 OA BRANCH 36 37 ATOM 37 C LIG 1 -4.069 0.232 -2.069 0.00 0.00 +0.195 C BRANCH 37 38 ATOM 38 C LIG 1 -4.758 1.533 -1.738 0.00 0.00 -0.018 A ATOM 39 C LIG 1 -4.019 2.684 -1.444 0.00 0.00 +0.014 A ATOM 40 C LIG 1 -4.656 3.894 -1.126 0.00 0.00 -0.014 A ATOM 41 C LIG 1 -6.071 3.959 -1.106 0.00 0.00 +0.024 A ATOM 42 C LIG 1 -6.676 5.193 -0.779 0.00 0.00 +0.012 A ATOM 43 C LIG 1 -5.913 6.325 -0.484 0.00 0.00 +0.001 A ATOM 44 C LIG 1 -4.526 6.250 -0.510 0.00 0.00 +0.001 A ATOM 45 C LIG 1 -6.821 2.794 -1.412 0.00 0.00 +0.128 A ATOM 46 C LIG 1 -3.903 5.043 -0.827 0.00 0.00 +0.008 A ATOM 47 C LIG 1 -6.159 1.601 -1.725 0.00 0.00 +0.052 A BRANCH 45 48 ATOM 48 O LIG 1 -8.191 2.928 -1.376 0.00 0.00 -0.494 OA ATOM 49 C LIG 1 -8.972 1.778 -1.679 0.00 0.00 +0.277 C ENDBRANCH 45 48 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 7 36 TORSDOF 19