REMARK Name = BDB057524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.875 0.838 -0.318 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.323 -0.610 -0.079 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -3.137 -1.004 0.743 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -1.711 -1.494 -0.898 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -2.064 -2.363 -0.618 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.033 1.767 -0.389 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.502 1.847 0.527 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.004 1.475 -1.373 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.349 1.194 -1.038 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -6.291 0.935 -2.049 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -5.900 0.922 -3.387 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.575 1.178 -3.725 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -3.638 1.456 -2.727 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.784 1.181 0.390 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -5.276 1.961 1.193 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.814 0.230 0.873 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -7.750 0.677 1.812 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -8.728 -0.196 2.289 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -8.764 -1.516 1.840 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -7.817 -1.970 0.920 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.837 -1.100 0.439 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 C LIG 1 -0.965 1.281 0.842 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 2.812 -0.830 0.937 0.00 0.00 +0.121 A ATOM 24 C LIG 1 2.606 0.204 0.025 0.00 0.00 +0.046 A ATOM 25 C LIG 1 1.387 0.890 -0.001 0.00 0.00 +0.007 A ATOM 26 C LIG 1 0.358 0.553 0.887 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.569 -0.482 1.804 0.00 0.00 +0.007 A ATOM 28 C LIG 1 1.788 -1.164 1.825 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 3.946 -1.579 1.075 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 5.040 -1.347 0.184 0.00 0.00 +0.233 C BRANCH 30 31 ATOM 31 C LIG 1 5.950 -0.239 0.718 0.00 0.00 +0.076 C BRANCH 31 34 ATOM 32 C LIG 1 8.597 -1.628 1.147 0.00 0.00 +0.044 C ATOM 33 C LIG 1 8.374 -0.670 0.009 0.00 0.00 -0.047 A ATOM 34 C LIG 1 7.144 -0.006 -0.179 0.00 0.00 -0.041 A ATOM 35 C LIG 1 7.006 0.887 -1.257 0.00 0.00 +0.004 A ATOM 36 C LIG 1 8.066 1.129 -2.128 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.281 0.480 -1.937 0.00 0.00 +0.000 A ATOM 38 C LIG 1 9.434 -0.411 -0.875 0.00 0.00 +0.003 A ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 12