REMARK Name = BDB040265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.779 2.194 -0.441 0.00 0.00 -0.036 A ATOM 2 C LIG 1 1.624 1.443 -0.110 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.618 1.904 0.753 0.00 0.00 +0.037 A ATOM 4 C LIG 1 0.785 3.173 1.319 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.915 3.940 1.033 0.00 0.00 +0.002 A ATOM 6 C LIG 1 2.895 3.454 0.170 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.531 1.119 1.050 0.00 0.00 -0.263 N ATOM 8 C LIG 1 -0.831 -0.150 0.542 0.00 0.00 +0.251 C ATOM 9 O LIG 1 -0.228 -0.873 -0.230 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.117 -0.551 1.125 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -2.826 -1.722 0.927 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -4.043 -1.878 1.605 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -4.492 -0.849 2.471 0.00 0.00 +0.017 A ATOM 14 C LIG 1 -3.761 0.340 2.657 0.00 0.00 +0.061 A ATOM 15 C LIG 1 -2.561 0.464 1.963 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -1.576 1.587 1.952 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 -4.241 1.428 3.578 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -5.489 1.223 4.078 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -3.421 1.582 4.654 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -4.275 2.645 2.966 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 -4.857 -3.147 1.432 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 N LIG 1 -6.251 -2.863 1.057 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 -6.995 -4.124 0.838 0.00 0.00 +0.086 C ATOM 24 C LIG 1 -6.716 -4.019 -0.668 0.00 0.00 +0.031 C ATOM 25 C LIG 1 -6.369 -2.551 -0.387 0.00 0.00 +0.086 C ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 C LIG 1 3.924 1.597 -1.454 0.00 0.00 +0.045 C ATOM 27 C LIG 1 4.542 2.647 -2.457 0.00 0.00 +0.090 C ATOM 28 C LIG 1 3.466 2.235 -3.481 0.00 0.00 +0.251 C ATOM 29 F LIG 1 3.875 2.171 -4.767 0.00 0.00 -0.206 F ATOM 30 F LIG 1 2.339 2.982 -3.471 0.00 0.00 -0.206 F ATOM 31 C LIG 1 3.372 0.882 -2.747 0.00 0.00 +0.090 C BRANCH 26 32 ATOM 32 C LIG 1 4.923 0.785 -0.600 0.00 0.00 +0.244 C ATOM 33 F LIG 1 4.209 -0.154 0.092 0.00 0.00 -0.236 F BRANCH 32 36 ATOM 34 C LIG 1 5.186 -2.257 -1.285 0.00 0.00 +0.151 C ATOM 35 N LIG 1 6.119 -1.216 -1.626 0.00 0.00 -0.318 N ATOM 36 C LIG 1 6.035 0.124 -1.341 0.00 0.00 +0.168 A ATOM 37 N LIG 1 7.116 0.717 -1.814 0.00 0.00 -0.132 NA ATOM 38 N LIG 1 7.891 -0.231 -2.436 0.00 0.00 -0.138 NA ATOM 39 C LIG 1 7.282 -1.385 -2.312 0.00 0.00 +0.224 A ENDBRANCH 32 36 ENDBRANCH 26 32 ENDBRANCH 1 26 TORSDOF 7