REMARK Name = BDB037425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.851 -2.114 -0.284 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.694 -0.995 -0.228 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.258 0.315 -0.296 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.420 1.061 -0.635 0.00 0.00 +0.087 A ATOM 5 N LIG 1 -3.504 0.270 -0.648 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 0.194 0.655 -0.195 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.943 -0.516 0.483 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -3.082 -0.931 -0.180 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.529 -1.860 -0.170 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.391 -2.676 -0.516 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.301 1.967 0.566 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -0.214 2.128 1.867 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.087 3.346 2.537 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.561 4.406 1.918 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.680 5.575 2.561 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.089 4.272 0.641 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.965 3.055 -0.032 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -4.026 -1.831 0.387 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -5.384 -1.699 0.060 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -6.330 -2.553 0.630 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.931 -3.528 1.542 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.587 -3.644 1.896 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.635 -2.793 1.329 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.404 -0.400 0.361 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.837 -1.086 -0.252 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.164 0.091 1.401 0.00 0.00 +0.245 C ATOM 27 O LIG 1 2.680 0.547 2.430 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.643 0.005 1.240 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.254 -0.047 -0.020 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.654 -0.124 -0.134 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.433 -0.127 1.034 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.828 -0.061 2.290 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.438 0.008 2.392 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.310 -0.154 -1.492 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.499 -0.817 -1.501 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.570 1.095 -1.968 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.539 -0.760 -2.438 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.161 -3.323 -2.430 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.241 -3.384 -0.910 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.527 2.528 -0.980 0.00 0.00 +0.173 C BRANCH 40 41 ATOM 41 N LIG 1 -3.608 2.815 -1.976 0.00 0.00 -0.267 N ATOM 42 C LIG 1 -3.298 2.303 -3.331 0.00 0.00 +0.141 C BRANCH 41 43 ATOM 43 C LIG 1 -4.876 3.009 -1.577 0.00 0.00 +0.169 C ATOM 44 N LIG 1 -5.970 3.204 -1.251 0.00 0.00 -0.174 NA ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 9