REMARK Name = BDB057555 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.078 -0.431 -0.164 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.542 -0.260 0.011 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -3.769 -0.238 1.015 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -5.457 1.268 -0.040 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -4.297 0.723 -0.649 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -4.027 1.113 -1.969 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -4.821 2.055 -2.634 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -5.921 2.620 -2.001 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -6.241 2.228 -0.705 0.00 0.00 +0.013 A BRANCH 4 10 ATOM 10 C LIG 1 -5.820 0.887 1.357 0.00 0.00 +0.198 C ATOM 11 O LIG 1 -4.928 0.654 2.175 0.00 0.00 -0.286 OA BRANCH 10 13 ATOM 12 C LIG 1 -8.237 0.172 1.073 0.00 0.00 +0.131 A ATOM 13 C LIG 1 -7.232 0.822 1.811 0.00 0.00 +0.064 A ATOM 14 C LIG 1 -7.528 1.415 3.048 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -8.831 1.398 3.538 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -9.838 0.781 2.800 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -9.543 0.168 1.577 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 -8.838 -1.179 -0.806 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -7.859 -0.435 -0.093 0.00 0.00 -0.494 OA ENDBRANCH 12 19 ENDBRANCH 10 13 ENDBRANCH 4 10 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 -1.733 -1.212 -1.436 0.00 0.00 +0.326 C ATOM 21 O LIG 1 -1.177 -0.792 -2.441 0.00 0.00 -0.249 OA BRANCH 20 22 ATOM 22 OXT LIG 1 -2.121 -2.508 -1.380 0.00 0.00 -0.479 OA ATOM 23 HXT LIG 1 -1.894 -2.866 -2.262 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 24 ATOM 24 C LIG 1 -1.308 0.896 -0.043 0.00 0.00 +0.068 C BRANCH 24 25 ATOM 25 C LIG 1 0.134 0.702 0.375 0.00 0.00 -0.045 A ATOM 26 C LIG 1 1.156 0.650 -0.580 0.00 0.00 +0.007 A ATOM 27 C LIG 1 2.486 0.449 -0.194 0.00 0.00 +0.046 A ATOM 28 C LIG 1 2.812 0.298 1.153 0.00 0.00 +0.121 A ATOM 29 C LIG 1 1.793 0.349 2.107 0.00 0.00 +0.046 A ATOM 30 C LIG 1 0.465 0.548 1.726 0.00 0.00 +0.007 A BRANCH 28 31 ATOM 31 O LIG 1 4.060 0.089 1.670 0.00 0.00 -0.490 OA BRANCH 31 32 ATOM 32 C LIG 1 5.176 0.036 0.777 0.00 0.00 +0.248 C BRANCH 32 33 ATOM 33 C LIG 1 5.369 -1.379 0.213 0.00 0.00 +0.150 C BRANCH 33 34 ATOM 34 N LIG 1 6.379 -1.434 -0.846 0.00 0.00 -0.285 N ATOM 35 C LIG 1 5.982 -1.047 -2.187 0.00 0.00 +0.134 C BRANCH 34 36 ATOM 36 C LIG 1 7.679 -1.331 -0.482 0.00 0.00 +0.291 A ATOM 37 O LIG 1 8.603 -1.150 -1.481 0.00 0.00 -0.424 OA ATOM 38 C LIG 1 9.795 -1.086 -0.825 0.00 0.00 +0.157 A ATOM 39 C LIG 1 9.540 -1.225 0.527 0.00 0.00 +0.111 A ATOM 40 C LIG 1 10.613 -1.192 1.427 0.00 0.00 +0.031 A ATOM 41 C LIG 1 11.905 -1.018 0.908 0.00 0.00 +0.002 A ATOM 42 C LIG 1 12.120 -0.881 -0.470 0.00 0.00 +0.004 A ATOM 43 C LIG 1 11.057 -0.912 -1.381 0.00 0.00 +0.048 A ATOM 44 N LIG 1 8.193 -1.376 0.730 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