REMARK Name = BDB010984 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.925 1.752 0.600 0.00 0.00 -0.236 N ATOM 2 N LIG 1 0.267 0.777 -0.086 0.00 0.00 -0.166 NA ATOM 3 C LIG 1 -1.011 1.167 -0.163 0.00 0.00 +0.094 A ATOM 4 C LIG 1 -1.164 2.433 0.493 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -2.336 3.181 0.633 0.00 0.00 +0.066 A ATOM 6 C LIG 1 -3.424 2.502 0.014 0.00 0.00 +0.018 A ATOM 7 C LIG 1 -3.329 1.233 -0.656 0.00 0.00 -0.031 A ATOM 8 C LIG 1 -2.105 0.524 -0.762 0.00 0.00 +0.035 A ATOM 9 C LIG 1 0.074 2.776 0.964 0.00 0.00 +0.123 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 4.387 0.272 0.575 0.00 0.00 -0.032 A ATOM 11 C LIG 1 3.002 0.482 0.369 0.00 0.00 +0.035 A ATOM 12 C LIG 1 2.320 1.621 0.848 0.00 0.00 +0.101 A ATOM 13 C LIG 1 3.043 2.578 1.553 0.00 0.00 +0.149 A ATOM 14 F LIG 1 2.479 3.689 2.042 0.00 0.00 -0.203 F ATOM 15 C LIG 1 4.406 2.409 1.777 0.00 0.00 +0.041 A ATOM 16 C LIG 1 5.064 1.274 1.297 0.00 0.00 +0.007 A BRANCH 10 20 ATOM 17 C LIG 1 6.407 -3.849 1.714 0.00 0.00 +0.007 C ATOM 18 C LIG 1 6.014 -2.954 0.557 0.00 0.00 -0.012 C ATOM 19 C LIG 1 6.491 -1.483 0.628 0.00 0.00 +0.022 C ATOM 20 C LIG 1 5.115 -1.045 0.009 0.00 0.00 +0.056 C ATOM 21 C LIG 1 4.566 -2.410 0.567 0.00 0.00 +0.022 C BRANCH 20 22 ATOM 22 C LIG 1 5.168 -1.002 -1.582 0.00 0.00 +0.144 A ATOM 23 N LIG 1 5.739 -0.045 -2.377 0.00 0.00 -0.320 N ATOM 24 C LIG 1 6.423 1.153 -1.976 0.00 0.00 +0.151 C ATOM 25 C LIG 1 5.532 -0.448 -3.660 0.00 0.00 +0.224 A ATOM 26 N LIG 1 4.880 -1.586 -3.663 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 4.647 -1.933 -2.354 0.00 0.00 -0.134 NA ENDBRANCH 20 22 ENDBRANCH 10 20 ENDBRANCH 1 12 BRANCH 5 28 ATOM 28 C LIG 1 -2.488 4.499 1.321 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -3.762 4.983 1.284 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -2.152 4.448 2.640 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.709 5.473 0.773 0.00 0.00 -0.166 F ENDBRANCH 5 28 BRANCH 7 32 ATOM 32 C LIG 1 -4.579 0.619 -1.272 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -4.992 -0.631 -0.617 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -6.016 -1.342 -1.401 0.00 0.00 +0.088 C ATOM 35 C LIG 1 -7.438 -1.188 -0.845 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -8.464 -1.876 -1.743 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -7.518 -1.733 0.589 0.00 0.00 +0.006 C ATOM 38 C LIG 1 -6.199 -1.573 1.345 0.00 0.00 +0.016 C ATOM 39 C LIG 1 -5.370 -0.418 0.790 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 6