REMARK Name = BDB024920 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.804 -1.137 0.846 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.916 -0.258 0.200 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.471 0.797 -0.673 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.681 0.276 -2.100 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.638 2.075 -0.624 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.215 1.799 -1.052 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.646 0.616 -0.322 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.240 0.468 -0.253 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.268 1.286 -0.765 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.890 0.735 -0.457 0.00 0.00 +0.116 A ATOM 11 N LIG 1 -0.698 -0.426 0.272 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.668 -0.614 0.398 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.450 -1.598 1.000 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.844 -1.454 0.920 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.471 -0.374 0.277 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.517 -2.007 1.661 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.703 -1.323 0.842 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.541 -2.049 -0.222 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -3.552 -3.017 0.414 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.416 -2.300 1.455 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.562 -1.639 2.534 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.553 -0.660 1.937 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.431 -3.649 -0.652 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.550 -3.234 -1.794 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.085 -4.750 -0.216 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.908 -4.985 0.714 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.055 -1.787 1.103 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.106 -0.923 0.476 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.210 1.342 -0.846 0.00 0.00 +0.073 C ATOM 30 C LIG 1 -2.328 1.397 -2.373 0.00 0.00 +0.017 C BRANCH 29 31 ATOM 31 C LIG 1 -2.322 2.740 -0.220 0.00 0.00 +0.154 C BRANCH 31 32 ATOM 32 N LIG 1 -3.679 3.257 -0.253 0.00 0.00 -0.269 N ATOM 33 N LIG 1 -4.627 2.682 0.513 0.00 0.00 -0.160 NA ATOM 34 C LIG 1 -5.721 3.396 0.240 0.00 0.00 +0.151 A ATOM 35 CL LIG 1 -7.204 3.039 0.973 0.00 0.00 -0.060 Cl ATOM 36 C LIG 1 -5.479 4.424 -0.688 0.00 0.00 +0.061 A ATOM 37 C LIG 1 -4.140 4.312 -0.988 0.00 0.00 +0.110 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7