REMARK Name = BDB043190 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.511 0.466 0.850 0.00 0.00 +0.197 C ATOM 2 C LIG 1 1.869 1.131 2.074 0.00 0.00 +0.237 C ATOM 3 O LIG 1 2.393 1.054 3.191 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 0.686 1.803 2.014 0.00 0.00 -0.308 N ATOM 5 H LIG 1 0.466 2.171 2.937 0.00 0.00 +0.149 HD ATOM 6 C LIG 1 -0.284 2.176 0.951 0.00 0.00 +0.113 C ATOM 7 C LIG 1 -1.290 1.030 0.624 0.00 0.00 +0.243 C ATOM 8 C LIG 1 -0.931 0.099 -0.536 0.00 0.00 +0.338 C ATOM 9 O LIG 1 -0.104 0.394 -1.394 0.00 0.00 -0.248 OA ATOM 10 O LIG 1 -1.497 -1.131 -0.569 0.00 0.00 -0.458 OA ATOM 11 C LIG 1 -2.523 -1.630 0.330 0.00 0.00 +0.190 C ATOM 12 C LIG 1 -2.073 -3.011 0.852 0.00 0.00 +0.046 C ATOM 13 C LIG 1 -0.798 -2.947 1.708 0.00 0.00 +0.015 C ATOM 14 C LIG 1 0.473 -3.349 0.953 0.00 0.00 +0.121 C ATOM 15 C LIG 1 1.704 -3.058 1.787 0.00 0.00 +0.307 C ATOM 16 O LIG 1 2.070 -3.839 2.660 0.00 0.00 -0.251 OA ATOM 17 O LIG 1 2.366 -1.889 1.583 0.00 0.00 -0.462 OA ATOM 18 C LIG 1 1.917 -0.925 0.616 0.00 0.00 +0.263 C ENDROOT BRANCH 1 21 ATOM 19 O LIG 1 4.569 1.139 -1.015 0.00 0.00 -0.272 OA ATOM 20 C LIG 1 4.875 0.706 0.095 0.00 0.00 +0.251 C ATOM 21 N LIG 1 3.951 0.392 1.061 0.00 0.00 -0.298 N ATOM 22 H LIG 1 4.272 0.005 1.941 0.00 0.00 +0.150 HD BRANCH 20 23 ATOM 23 C LIG 1 6.325 0.509 0.531 0.00 0.00 +0.324 C BRANCH 23 24 ATOM 24 O LIG 1 6.555 -0.752 1.149 0.00 0.00 -0.483 OA BRANCH 24 25 ATOM 25 C LIG 1 6.791 -1.824 0.326 0.00 0.00 +0.121 A ATOM 26 C LIG 1 6.621 -1.852 -1.057 0.00 0.00 +0.045 A ATOM 27 C LIG 1 6.927 -3.014 -1.780 0.00 0.00 +0.004 A ATOM 28 C LIG 1 7.392 -4.155 -1.125 0.00 0.00 +0.000 A ATOM 29 C LIG 1 7.543 -4.139 0.257 0.00 0.00 +0.004 A ATOM 30 C LIG 1 7.240 -2.979 0.978 0.00 0.00 +0.045 A ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 21 BRANCH 7 31 ATOM 31 O LIG 1 -2.630 1.521 0.517 0.00 0.00 -0.379 OA ATOM 32 H LIG 1 -2.670 2.153 -0.224 0.00 0.00 +0.211 HD ENDBRANCH 7 31 BRANCH 6 33 ATOM 33 C LIG 1 0.347 3.041 -0.163 0.00 0.00 +0.029 C BRANCH 33 34 ATOM 34 C LIG 1 -0.637 3.943 -0.948 0.00 0.00 -0.009 C ATOM 35 C LIG 1 0.053 5.280 -1.313 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -0.571 6.004 -2.509 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -2.039 5.653 -2.692 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -2.230 4.155 -2.921 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -1.172 3.288 -2.228 0.00 0.00 +0.003 C ENDBRANCH 33 34 ENDBRANCH 6 33 BRANCH 11 40 ATOM 40 C LIG 1 -3.838 -1.711 -0.478 0.00 0.00 +0.129 C BRANCH 40 41 ATOM 41 N LIG 1 -5.005 -2.161 0.298 0.00 0.00 -0.295 NA ATOM 42 C LIG 1 -6.110 -2.549 -0.611 0.00 0.00 +0.112 C ATOM 43 C LIG 1 -7.368 -2.955 0.172 0.00 0.00 +0.175 C ATOM 44 O LIG 1 -7.814 -1.888 1.019 0.00 0.00 -0.377 OA ATOM 45 C LIG 1 -6.778 -1.540 1.949 0.00 0.00 +0.175 C ATOM 46 C LIG 1 -5.496 -1.105 1.214 0.00 0.00 +0.112 C ENDBRANCH 40 41 ENDBRANCH 11 40 TORSDOF 9