REMARK Name = BDB020024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.937 0.330 0.670 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.147 1.713 0.601 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.079 2.259 -0.293 0.00 0.00 -0.014 A ATOM 4 C LIG 1 -2.820 1.382 -1.103 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.655 -0.013 -1.028 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.695 -0.525 -0.139 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.283 3.714 -0.377 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -3.492 4.274 0.082 0.00 0.00 +0.134 A ATOM 9 F LIG 1 -4.452 3.477 0.578 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -3.736 5.641 0.044 0.00 0.00 +0.077 A ATOM 11 C LIG 1 -2.757 6.479 -0.461 0.00 0.00 +0.126 A ATOM 12 F LIG 1 -2.975 7.800 -0.500 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -1.551 5.971 -0.932 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -1.302 4.587 -0.908 0.00 0.00 -0.037 A ATOM 15 C LIG 1 0.019 4.083 -1.430 0.00 0.00 +0.044 C ENDBRANCH 3 7 BRANCH 1 18 ATOM 16 N LIG 1 0.641 -1.409 1.341 0.00 0.00 -0.307 N ATOM 17 H LIG 1 0.489 -1.823 0.432 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 0.086 -0.180 1.627 0.00 0.00 +0.244 C ATOM 19 O LIG 1 0.421 0.506 2.588 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 1.748 -1.935 2.108 0.00 0.00 +0.140 C BRANCH 20 25 ATOM 21 C LIG 1 4.851 0.006 1.056 0.00 0.00 +0.124 A ATOM 22 C LIG 1 5.467 -0.912 0.198 0.00 0.00 +0.091 A ATOM 23 C LIG 1 4.890 -2.159 -0.043 0.00 0.00 +0.124 A ATOM 24 C LIG 1 3.687 -2.489 0.585 0.00 0.00 +0.051 A ATOM 25 C LIG 1 3.061 -1.588 1.456 0.00 0.00 -0.023 A ATOM 26 C LIG 1 3.651 -0.335 1.681 0.00 0.00 +0.051 A BRANCH 21 28 ATOM 27 C LIG 1 4.925 2.163 2.052 0.00 0.00 +0.277 C ATOM 28 O LIG 1 5.517 1.194 1.195 0.00 0.00 -0.495 OA ENDBRANCH 21 28 BRANCH 23 29 ATOM 29 O LIG 1 5.391 -3.133 -0.863 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 6.626 -2.853 -1.511 0.00 0.00 +0.277 C ENDBRANCH 23 29 ENDBRANCH 20 25 ENDBRANCH 16 20 ENDBRANCH 1 18 BRANCH 5 31 ATOM 31 C LIG 1 -3.466 -0.906 -1.946 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -3.810 -2.179 -1.346 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -3.092 -3.374 -1.492 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -2.022 -3.612 -2.161 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -1.724 -2.771 -2.651 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -3.785 -4.288 -0.695 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -3.327 -5.633 -0.456 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -4.840 -3.656 -0.056 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -4.861 -2.378 -0.454 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8