REMARK Name = BDB061710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.661 0.605 1.595 0.00 0.00 +0.073 A ATOM 2 N LIG 1 0.864 -0.215 0.854 0.00 0.00 -0.249 NA ATOM 3 C LIG 1 -0.457 0.032 0.787 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -1.042 1.116 1.448 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -2.417 1.287 1.319 0.00 0.00 +0.123 A ATOM 6 N LIG 1 -3.215 0.475 0.592 0.00 0.00 -0.239 NA ATOM 7 C LIG 1 -2.641 -0.562 -0.049 0.00 0.00 +0.125 A ATOM 8 C LIG 1 -0.222 1.965 2.201 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -1.272 -0.802 0.043 0.00 0.00 +0.072 A ATOM 10 C LIG 1 1.143 1.709 2.270 0.00 0.00 +0.027 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 3.170 0.309 1.616 0.00 0.00 +0.108 C ATOM 12 C LIG 1 3.423 -1.208 1.546 0.00 0.00 +0.048 C BRANCH 11 17 ATOM 13 C LIG 1 6.653 1.264 -2.633 0.00 0.00 +0.104 C ATOM 14 N LIG 1 5.573 0.549 -1.959 0.00 0.00 -0.305 NA ATOM 15 C LIG 1 4.333 1.334 -1.986 0.00 0.00 +0.084 C ATOM 16 C LIG 1 3.342 0.868 -0.922 0.00 0.00 +0.022 C ATOM 17 C LIG 1 3.898 1.120 0.496 0.00 0.00 +0.029 C ATOM 18 C LIG 1 5.440 0.976 0.512 0.00 0.00 +0.022 C ATOM 19 C LIG 1 5.959 0.090 -0.621 0.00 0.00 +0.084 C ENDBRANCH 11 17 BRANCH 11 20 ATOM 20 O LIG 1 3.687 0.764 2.887 0.00 0.00 -0.382 OA ATOM 21 H LIG 1 4.449 0.210 3.122 0.00 0.00 +0.211 HD ENDBRANCH 11 20 ENDBRANCH 1 11 BRANCH 7 22 ATOM 22 N LIG 1 -3.418 -1.461 -0.815 0.00 0.00 -0.297 N ATOM 23 H LIG 1 -2.966 -1.644 -1.709 0.00 0.00 +0.154 HD BRANCH 22 24 ATOM 24 C LIG 1 -4.824 -1.515 -0.939 0.00 0.00 +0.069 A ATOM 25 C LIG 1 -5.388 -2.027 -2.115 0.00 0.00 +0.146 A ATOM 26 F LIG 1 -4.581 -2.403 -3.119 0.00 0.00 -0.204 F ATOM 27 C LIG 1 -6.764 -2.146 -2.282 0.00 0.00 +0.059 A ATOM 28 C LIG 1 -7.625 -1.765 -1.248 0.00 0.00 +0.066 A ATOM 29 C LIG 1 -7.095 -1.274 -0.041 0.00 0.00 +0.074 A ATOM 30 C LIG 1 -5.695 -1.166 0.100 0.00 0.00 +0.039 A BRANCH 29 31 ATOM 31 C LIG 1 -8.001 -0.869 1.098 0.00 0.00 +0.419 C ATOM 32 F LIG 1 -8.777 -1.899 1.530 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -7.332 -0.425 2.198 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -8.850 0.135 0.752 0.00 0.00 -0.166 F ENDBRANCH 29 31 BRANCH 28 35 ATOM 35 C LIG 1 -9.041 -1.896 -1.451 0.00 0.00 +0.100 C ATOM 36 N LIG 1 -10.182 -2.006 -1.625 0.00 0.00 -0.191 NA ENDBRANCH 28 35 ENDBRANCH 22 24 ENDBRANCH 7 22 TORSDOF 7