REMARK Name = BDB037420 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.727 -2.895 -0.177 0.00 0.00 -0.254 N ATOM 2 C LIG 1 0.552 -2.347 -0.389 0.00 0.00 +0.135 A ATOM 3 C LIG 1 0.834 -0.994 -0.352 0.00 0.00 +0.025 A ATOM 4 C LIG 1 2.128 -0.858 -0.897 0.00 0.00 +0.069 A ATOM 5 N LIG 1 2.636 -2.049 -1.226 0.00 0.00 -0.169 NA ATOM 6 C LIG 1 -0.162 0.028 0.049 0.00 0.00 +0.083 C ATOM 7 C LIG 1 -1.569 -0.489 -0.284 0.00 0.00 +0.172 C ATOM 8 N LIG 1 1.778 -2.955 -0.677 0.00 0.00 -0.218 N ATOM 9 C LIG 1 -1.791 -1.992 0.034 0.00 0.00 +0.242 C ATOM 10 O LIG 1 -2.925 -2.372 0.356 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.100 0.351 1.518 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.064 -0.610 2.546 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.283 -0.242 3.877 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.527 1.088 4.192 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.731 1.439 5.469 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.557 2.060 3.202 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.343 1.694 1.872 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 2.279 -4.247 -0.367 0.00 0.00 +0.067 A ATOM 19 C LIG 1 1.857 -4.923 0.784 0.00 0.00 +0.028 A ATOM 20 C LIG 1 2.387 -6.178 1.092 0.00 0.00 +0.002 A ATOM 21 C LIG 1 3.354 -6.750 0.267 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.808 -6.061 -0.858 0.00 0.00 +0.002 A ATOM 23 C LIG 1 3.283 -4.806 -1.171 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 -2.647 0.295 0.324 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -3.372 -0.234 0.802 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -2.886 1.595 -0.049 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -2.204 2.208 -0.861 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -4.051 2.244 0.597 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -4.871 3.078 -0.171 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -5.976 3.717 0.415 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -6.221 3.529 1.786 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -5.390 2.711 2.554 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.304 2.066 1.962 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -6.866 4.603 -0.423 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -7.270 3.998 -1.573 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -6.248 5.755 -0.802 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -8.008 4.984 0.217 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.596 -5.001 0.879 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.100 -4.298 -0.379 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 2.900 0.391 -1.172 0.00 0.00 +0.061 C BRANCH 40 41 ATOM 41 C LIG 1 2.624 0.940 -2.577 0.00 0.00 +0.033 C BRANCH 41 42 ATOM 42 C LIG 1 3.291 2.240 -2.947 0.00 0.00 -0.019 C ATOM 43 C LIG 1 4.158 2.948 -2.203 0.00 0.00 +0.087 C BRANCH 43 44 ATOM 44 C LIG 1 4.777 4.230 -2.611 0.00 0.00 +0.331 C ATOM 45 O LIG 1 5.574 4.818 -1.892 0.00 0.00 -0.246 OA BRANCH 44 46 ATOM 46 O LIG 1 4.349 4.637 -3.830 0.00 0.00 -0.465 OA ATOM 47 C LIG 1 4.904 5.882 -4.255 0.00 0.00 +0.280 C ENDBRANCH 44 46 ENDBRANCH 43 44 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 11