REMARK Name = BDB035580 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.078 1.585 0.321 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.452 0.371 0.775 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.071 -0.718 0.930 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.859 0.620 1.112 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.809 -0.272 1.576 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.104 0.209 1.825 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.384 1.582 1.619 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.404 2.479 1.147 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.136 1.964 0.895 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.906 2.656 0.403 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.618 0.908 -0.801 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.282 0.738 -0.377 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.404 1.806 -0.141 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.875 3.102 -0.380 0.00 0.00 +0.027 A ATOM 15 C LIG 1 -3.195 3.329 -0.788 0.00 0.00 -0.048 A ATOM 16 C LIG 1 -3.689 4.722 -1.050 0.00 0.00 +0.044 C ATOM 17 C LIG 1 -4.044 2.236 -0.995 0.00 0.00 +0.008 A BRANCH 11 20 ATOM 18 C LIG 1 -5.225 -1.878 -2.437 0.00 0.00 +0.120 C ATOM 19 C LIG 1 -5.362 -0.342 -2.420 0.00 0.00 +0.051 C ATOM 20 C LIG 1 -4.608 -0.329 -1.041 0.00 0.00 +0.060 C ATOM 21 C LIG 1 -4.016 -1.706 -1.491 0.00 0.00 +0.051 C BRANCH 20 22 ATOM 22 C LIG 1 -5.593 -0.476 0.199 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -5.273 -0.745 1.502 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -3.974 -0.954 2.081 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -6.455 -0.771 2.179 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -7.444 -0.538 1.350 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -6.902 -0.349 0.101 0.00 0.00 -0.134 NA ENDBRANCH 20 22 BRANCH 18 29 ATOM 28 C LIG 1 -6.025 -2.601 -4.606 0.00 0.00 +0.194 C ATOM 29 O LIG 1 -4.926 -2.483 -3.712 0.00 0.00 -0.380 OA ENDBRANCH 18 29 ENDBRANCH 11 20 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.706 3.936 0.924 0.00 0.00 +0.418 C ATOM 31 F LIG 1 3.490 4.317 -0.364 0.00 0.00 -0.166 F ATOM 32 F LIG 1 4.989 4.283 1.212 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.917 4.744 1.686 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.183 -0.713 2.356 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.227 -2.007 1.670 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.371 -2.735 2.369 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 6.192 -2.053 0.551 0.00 0.00 +0.017 C ATOM 38 C LIG 1 6.251 -3.532 0.065 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.424 -3.776 1.034 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.634 -2.251 1.096 0.00 0.00 +0.022 C ATOM 41 C LIG 1 5.965 -1.042 -0.553 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8