REMARK Name = BDB053280 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.620 1.575 0.841 0.00 0.00 +0.066 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.789 2.017 0.653 0.00 0.00 +0.092 A ATOM 3 C LIG 1 1.973 1.240 0.746 0.00 0.00 +0.045 A ATOM 4 C LIG 1 2.984 2.145 0.477 0.00 0.00 +0.171 A ATOM 5 C LIG 1 4.340 1.831 0.456 0.00 0.00 +0.095 A ATOM 6 C LIG 1 4.657 0.493 0.699 0.00 0.00 +0.126 A ATOM 7 C LIG 1 3.671 -0.447 1.016 0.00 0.00 +0.046 A ATOM 8 O LIG 1 2.442 3.369 0.245 0.00 0.00 -0.354 OA ATOM 9 C LIG 1 2.314 -0.093 1.032 0.00 0.00 +0.017 A ATOM 10 N LIG 1 1.062 3.293 0.345 0.00 0.00 -0.082 NA BRANCH 6 11 ATOM 11 O LIG 1 5.963 0.095 0.753 0.00 0.00 -0.475 OA BRANCH 11 12 ATOM 12 C LIG 1 6.608 -0.231 -0.502 0.00 0.00 +0.200 C ATOM 13 C LIG 1 7.050 1.043 -1.231 0.00 0.00 +0.067 C ATOM 14 C LIG 1 5.768 -1.140 -1.411 0.00 0.00 +0.067 C BRANCH 12 15 ATOM 15 C LIG 1 7.868 -1.017 -0.093 0.00 0.00 +0.348 C ATOM 16 O LIG 1 8.198 -1.366 1.031 0.00 0.00 -0.247 OA BRANCH 15 17 ATOM 17 O LIG 1 8.662 -1.351 -1.136 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 9.402 -1.836 -0.711 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -1.283 1.204 -0.485 0.00 0.00 +0.065 C BRANCH 19 21 ATOM 20 C LIG 1 -2.966 -0.760 -0.262 0.00 0.00 +0.131 A ATOM 21 C LIG 1 -2.614 0.575 -0.277 0.00 0.00 +0.084 A ATOM 22 N LIG 1 -3.726 1.348 -0.035 0.00 0.00 -0.214 NA ATOM 23 C LIG 1 -4.699 0.473 0.114 0.00 0.00 +0.230 A ATOM 24 O LIG 1 -4.311 -0.832 -0.016 0.00 0.00 -0.440 OA BRANCH 23 25 ATOM 25 C LIG 1 -6.109 0.690 0.381 0.00 0.00 +0.073 A ATOM 26 C LIG 1 -6.932 1.320 -0.567 0.00 0.00 +0.055 A ATOM 27 CL LIG 1 -6.342 1.832 -2.114 0.00 0.00 -0.083 Cl ATOM 28 C LIG 1 -8.291 1.537 -0.306 0.00 0.00 +0.021 A ATOM 29 C LIG 1 -8.848 1.130 0.903 0.00 0.00 +0.003 A ATOM 30 C LIG 1 -8.046 0.505 1.854 0.00 0.00 +0.021 A ATOM 31 C LIG 1 -6.687 0.287 1.597 0.00 0.00 +0.055 A ATOM 32 CL LIG 1 -5.766 -0.475 2.854 0.00 0.00 -0.083 Cl ENDBRANCH 23 25 BRANCH 20 34 ATOM 33 C LIG 1 -2.264 -2.866 0.854 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -2.231 -2.043 -0.434 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -2.789 -2.845 -1.608 0.00 0.00 +0.015 C ENDBRANCH 20 34 ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 9