REMARK Name = BDB062715 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.352 -1.261 -0.991 0.00 0.00 -0.293 N ATOM 2 C LIG 1 0.556 -1.876 -0.029 0.00 0.00 +0.247 C ATOM 3 O LIG 1 0.862 -2.920 0.540 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.738 -1.212 0.310 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.457 -1.685 1.418 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.683 -1.113 1.775 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -3.183 -0.060 0.995 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -2.475 0.417 -0.122 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -1.234 -0.149 -0.466 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.441 0.291 -1.671 0.00 0.00 +0.055 C ATOM 11 C LIG 1 1.051 0.094 -1.429 0.00 0.00 +0.113 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -3.068 1.487 -0.894 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -3.799 1.465 -2.118 0.00 0.00 +0.173 A ATOM 14 N LIG 1 -4.154 2.718 -2.477 0.00 0.00 -0.167 NA ATOM 15 N LIG 1 -3.685 3.499 -1.489 0.00 0.00 -0.273 N ATOM 16 C LIG 1 -3.910 4.923 -1.546 0.00 0.00 +0.172 C ATOM 17 C LIG 1 -3.025 2.811 -0.516 0.00 0.00 +0.117 A BRANCH 13 18 ATOM 18 C LIG 1 -4.135 0.249 -2.940 0.00 0.00 +0.437 C ATOM 19 F LIG 1 -4.558 -0.787 -2.166 0.00 0.00 -0.164 F ATOM 20 F LIG 1 -3.050 -0.202 -3.628 0.00 0.00 -0.164 F ATOM 21 F LIG 1 -5.114 0.469 -3.858 0.00 0.00 -0.164 F ENDBRANCH 13 18 ENDBRANCH 8 12 BRANCH 1 22 ATOM 22 C LIG 1 2.689 -1.789 -1.245 0.00 0.00 +0.143 C BRANCH 22 27 ATOM 23 C LIG 1 5.610 0.556 -0.510 0.00 0.00 +0.124 A ATOM 24 C LIG 1 5.730 0.409 0.876 0.00 0.00 +0.091 A ATOM 25 C LIG 1 4.885 -0.450 1.577 0.00 0.00 +0.124 A ATOM 26 C LIG 1 3.908 -1.163 0.879 0.00 0.00 +0.051 A ATOM 27 C LIG 1 3.767 -1.027 -0.510 0.00 0.00 -0.023 A ATOM 28 C LIG 1 4.629 -0.159 -1.199 0.00 0.00 +0.051 A BRANCH 23 30 ATOM 29 C LIG 1 6.487 1.558 -2.484 0.00 0.00 +0.277 C ATOM 30 O LIG 1 6.504 1.431 -1.068 0.00 0.00 -0.495 OA ENDBRANCH 23 30 BRANCH 25 31 ATOM 31 O LIG 1 4.904 -0.676 2.926 0.00 0.00 -0.495 OA ATOM 32 C LIG 1 5.928 -0.029 3.670 0.00 0.00 +0.277 C ENDBRANCH 25 31 ENDBRANCH 22 27 ENDBRANCH 1 22 BRANCH 6 33 ATOM 33 C LIG 1 -3.449 -1.630 2.966 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 N LIG 1 -4.639 -2.351 2.570 0.00 0.00 -0.316 N ATOM 35 C LIG 1 -5.928 -1.957 2.755 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -6.736 -2.897 2.322 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -5.957 -3.930 1.848 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -4.699 -3.587 2.005 0.00 0.00 +0.225 A ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8