REMARK Name = BDB053987 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.712 0.766 -1.177 0.00 0.00 +0.217 C ATOM 2 N LIG 1 -5.837 -0.146 -0.589 0.00 0.00 -0.283 N ATOM 3 C LIG 1 -6.261 -1.423 0.023 0.00 0.00 +0.189 C ATOM 4 C LIG 1 -5.174 -2.492 -0.134 0.00 0.00 +0.069 C ATOM 5 C LIG 1 -3.828 -2.002 0.327 0.00 0.00 -0.040 A ATOM 6 C LIG 1 -3.533 -0.633 0.287 0.00 0.00 -0.023 A ATOM 7 C LIG 1 -2.263 -0.200 0.699 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -1.290 -1.104 1.136 0.00 0.00 +0.121 A ATOM 9 C LIG 1 -1.591 -2.463 1.159 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -2.851 -2.910 0.752 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -4.540 0.391 -0.179 0.00 0.00 +0.144 C ATOM 12 O LIG 1 -6.343 1.901 -1.486 0.00 0.00 -0.276 OA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -6.690 -1.311 1.494 0.00 0.00 +0.326 C ATOM 14 O LIG 1 -6.980 -2.249 2.222 0.00 0.00 -0.249 OA BRANCH 13 15 ATOM 15 O LIG 1 -6.801 -0.049 1.954 0.00 0.00 -0.479 OA ATOM 16 H LIG 1 -7.089 -0.147 2.886 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 3 13 BRANCH 1 17 ATOM 17 C LIG 1 -8.129 0.287 -1.459 0.00 0.00 +0.100 C BRANCH 17 18 ATOM 18 C LIG 1 -9.030 1.363 -2.071 0.00 0.00 +0.036 C BRANCH 18 20 ATOM 19 C LIG 1 -10.764 2.523 -0.665 0.00 0.00 +0.004 C ATOM 20 C LIG 1 -9.493 2.372 -1.056 0.00 0.00 -0.034 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 8 21 ATOM 21 O LIG 1 -0.106 -0.525 1.492 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 0.965 -1.352 1.958 0.00 0.00 +0.235 C BRANCH 22 23 ATOM 23 C LIG 1 1.771 -1.948 0.803 0.00 0.00 +0.100 C BRANCH 23 24 ATOM 24 C LIG 1 2.606 -0.932 0.109 0.00 0.00 +0.086 A ATOM 25 C LIG 1 2.273 -0.048 -0.889 0.00 0.00 +0.126 A ATOM 26 C LIG 1 1.044 0.264 -1.638 0.00 0.00 +0.088 C ATOM 27 O LIG 1 3.386 0.679 -1.188 0.00 0.00 -0.441 OA ATOM 28 C LIG 1 4.380 0.205 -0.351 0.00 0.00 +0.220 A ATOM 29 N LIG 1 3.932 -0.766 0.437 0.00 0.00 -0.214 NA BRANCH 28 30 ATOM 30 C LIG 1 5.697 0.743 -0.389 0.00 0.00 +0.063 C ATOM 31 C LIG 1 6.670 0.289 0.417 0.00 0.00 -0.022 C BRANCH 31 32 ATOM 32 C LIG 1 8.073 0.827 0.419 0.00 0.00 +0.027 C BRANCH 32 33 ATOM 33 C LIG 1 9.077 -0.259 0.019 0.00 0.00 +0.007 C BRANCH 33 34 ATOM 34 C LIG 1 10.553 0.185 -0.004 0.00 0.00 -0.017 C ATOM 35 C LIG 1 10.817 1.275 -1.042 0.00 0.00 +0.007 C ATOM 36 C LIG 1 11.050 0.625 1.373 0.00 0.00 +0.007 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 13