REMARK Name = BDB030757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.075 4.357 0.010 0.00 0.00 +0.152 C ATOM 2 N LIG 1 -1.672 3.030 0.013 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.868 1.885 -0.242 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -1.452 0.610 -0.221 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -0.611 -0.520 -0.351 0.00 0.00 +0.035 A ATOM 6 C LIG 1 0.775 -0.413 -0.545 0.00 0.00 +0.033 A ATOM 7 C LIG 1 1.312 0.866 -0.651 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -2.923 0.464 -0.046 0.00 0.00 +0.084 A ATOM 9 N LIG 1 -3.472 -0.809 -0.298 0.00 0.00 -0.337 N ATOM 10 H LIG 1 -2.936 -1.280 -1.025 0.00 0.00 +0.146 HD ATOM 11 C LIG 1 -4.902 -1.006 -0.552 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -5.722 -0.806 0.720 0.00 0.00 +0.063 C ATOM 13 C LIG 1 -5.348 0.454 1.484 0.00 0.00 +0.231 C ATOM 14 O LIG 1 -5.002 1.523 0.605 0.00 0.00 -0.485 OA ATOM 15 C LIG 1 -3.638 1.556 0.314 0.00 0.00 +0.207 A ATOM 16 C LIG 1 0.510 1.999 -0.484 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -3.010 2.919 0.369 0.00 0.00 +0.295 A ATOM 18 O LIG 1 -3.694 3.887 0.707 0.00 0.00 -0.264 OA ENDROOT BRANCH 11 19 ATOM 19 C LIG 1 -5.083 -2.409 -1.078 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -6.230 -2.742 -2.000 0.00 0.00 +0.005 C ATOM 21 C LIG 1 -4.824 -2.719 -2.533 0.00 0.00 +0.005 C ENDBRANCH 11 19 BRANCH 6 22 ATOM 22 N LIG 1 1.536 -1.586 -0.711 0.00 0.00 -0.298 N ATOM 23 H LIG 1 1.009 -2.433 -0.518 0.00 0.00 +0.154 HD BRANCH 22 24 ATOM 24 C LIG 1 2.919 -1.814 -0.487 0.00 0.00 +0.147 A ATOM 25 C LIG 1 3.474 -3.030 -0.881 0.00 0.00 +0.099 A ATOM 26 CL LIG 1 2.549 -4.299 -1.583 0.00 0.00 -0.078 Cl ATOM 27 C LIG 1 4.824 -3.190 -0.668 0.00 0.00 +0.138 A ATOM 28 N LIG 1 5.607 -2.248 -0.109 0.00 0.00 -0.217 NA ATOM 29 C LIG 1 5.000 -1.096 0.248 0.00 0.00 +0.253 A ATOM 30 N LIG 1 3.681 -0.848 0.070 0.00 0.00 -0.194 NA BRANCH 29 31 ATOM 31 N LIG 1 5.793 -0.060 0.855 0.00 0.00 -0.205 N ATOM 32 N LIG 1 7.132 -0.188 1.073 0.00 0.00 -0.160 NA ATOM 33 C LIG 1 7.513 0.969 1.648 0.00 0.00 +0.166 A ATOM 34 C LIG 1 6.409 1.846 1.801 0.00 0.00 +0.054 A ATOM 35 C LIG 1 5.332 1.167 1.291 0.00 0.00 +0.118 A BRANCH 33 36 ATOM 36 C LIG 1 8.938 1.242 2.056 0.00 0.00 +0.436 C ATOM 37 F LIG 1 9.071 2.478 2.616 0.00 0.00 -0.164 F ATOM 38 F LIG 1 9.396 0.355 2.978 0.00 0.00 -0.164 F ATOM 39 F LIG 1 9.798 1.208 1.003 0.00 0.00 -0.164 F ENDBRANCH 33 36 ENDBRANCH 29 31 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 5