REMARK Name = BDB005156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.813 -1.325 -0.463 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -1.774 -0.406 -0.010 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -2.874 -0.051 -0.806 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -3.008 -0.633 -2.067 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.062 -1.553 -2.527 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.972 -1.898 -1.731 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -3.784 0.884 -0.260 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -3.561 1.203 0.676 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -4.907 1.427 -0.866 0.00 0.00 +0.254 C ATOM 10 O LIG 1 -5.273 1.190 -2.011 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -5.709 2.381 -0.039 0.00 0.00 +0.107 A ATOM 12 C LIG 1 -5.248 2.897 1.176 0.00 0.00 +0.140 A ATOM 13 F LIG 1 -4.049 2.541 1.665 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -6.007 3.795 1.930 0.00 0.00 +0.059 A ATOM 15 C LIG 1 -7.255 4.194 1.466 0.00 0.00 +0.046 A ATOM 16 CL LIG 1 -8.198 5.302 2.384 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -7.743 3.699 0.262 0.00 0.00 +0.059 A ATOM 18 C LIG 1 -6.971 2.800 -0.479 0.00 0.00 +0.140 A ATOM 19 F LIG 1 -7.503 2.344 -1.621 0.00 0.00 -0.205 F ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 20 ATOM 20 C LIG 1 0.372 -1.695 0.401 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 1.599 -1.306 -0.285 0.00 0.00 -0.324 N ATOM 22 H LIG 1 1.559 -0.332 -0.573 0.00 0.00 +0.148 HD BRANCH 21 26 ATOM 23 C LIG 1 6.428 -1.105 0.043 0.00 0.00 +0.063 A ATOM 24 C LIG 1 5.182 -1.439 0.614 0.00 0.00 +0.088 A ATOM 25 C LIG 1 4.029 -1.203 -0.160 0.00 0.00 +0.041 A ATOM 26 C LIG 1 2.791 -1.532 0.433 0.00 0.00 +0.130 A ATOM 27 N LIG 1 2.705 -2.076 1.656 0.00 0.00 -0.220 NA ATOM 28 C LIG 1 3.850 -2.266 2.306 0.00 0.00 +0.223 A ATOM 29 C LIG 1 4.144 -0.669 -1.470 0.00 0.00 +0.013 A ATOM 30 C LIG 1 5.380 -0.347 -2.012 0.00 0.00 +0.002 A ATOM 31 N LIG 1 5.074 -1.966 1.854 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 6.520 -0.560 -1.254 0.00 0.00 +0.015 A BRANCH 23 36 ATOM 33 N LIG 1 7.727 -1.899 1.975 0.00 0.00 -0.325 N ATOM 34 H LIG 1 8.596 -1.978 2.483 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 6.849 -2.128 2.434 0.00 0.00 +0.145 HD ATOM 36 C LIG 1 7.733 -1.296 0.752 0.00 0.00 +0.244 C ATOM 37 O LIG 1 8.792 -0.922 0.258 0.00 0.00 -0.270 OA ENDBRANCH 23 36 ENDBRANCH 21 26 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 6