REMARK Name = BDB064985 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.386 -0.460 0.928 0.00 0.00 -0.031 A ATOM 2 C LIG 1 2.123 0.152 0.865 0.00 0.00 +0.034 A ATOM 3 C LIG 1 1.005 -0.623 0.531 0.00 0.00 +0.090 A ATOM 4 C LIG 1 1.161 -1.977 0.277 0.00 0.00 +0.078 A ATOM 5 N LIG 1 -0.114 -2.407 -0.004 0.00 0.00 -0.337 N ATOM 6 H LIG 1 -0.374 -3.359 -0.215 0.00 0.00 +0.167 HD ATOM 7 C LIG 1 -0.979 -1.338 0.074 0.00 0.00 +0.139 A ATOM 8 C LIG 1 2.395 -2.646 0.332 0.00 0.00 +0.080 A ATOM 9 N LIG 1 -0.308 -0.250 0.406 0.00 0.00 -0.228 NA ATOM 10 C LIG 1 3.503 -1.838 0.669 0.00 0.00 +0.019 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -2.425 -1.416 -0.162 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -3.239 -0.330 0.208 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -4.642 -0.307 0.017 0.00 0.00 -0.033 A ATOM 14 C LIG 1 -5.197 -1.458 -0.574 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.411 -2.549 -0.955 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -3.032 -2.528 -0.752 0.00 0.00 +0.011 A BRANCH 13 17 ATOM 17 C LIG 1 -5.514 0.978 0.469 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -7.084 0.899 0.469 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -7.007 0.431 1.942 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -8.107 0.916 2.863 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.653 1.177 2.026 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -5.013 2.279 -0.283 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -4.928 2.477 -1.635 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -5.266 1.557 -2.686 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -4.449 3.739 -1.802 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -4.262 4.296 -0.629 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -4.612 3.374 0.330 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 13 17 ENDBRANCH 7 11 BRANCH 8 28 ATOM 28 C LIG 1 2.578 -4.112 0.055 0.00 0.00 +0.419 C ATOM 29 F LIG 1 3.373 -4.354 -1.022 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.398 -4.751 -0.206 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.136 -4.785 1.098 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 1 32 ATOM 32 C LIG 1 4.608 0.357 1.299 0.00 0.00 +0.119 C BRANCH 32 36 ATOM 33 C LIG 1 8.550 -0.837 -0.214 0.00 0.00 +0.009 C ATOM 34 C LIG 1 8.136 0.632 -0.078 0.00 0.00 +0.000 C ATOM 35 C LIG 1 6.942 0.798 0.878 0.00 0.00 +0.088 C ATOM 36 N LIG 1 5.700 0.242 0.315 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 5.357 0.924 -0.946 0.00 0.00 +0.085 C ATOM 38 C LIG 1 6.471 0.770 -1.983 0.00 0.00 +0.016 C ATOM 39 C LIG 1 7.813 1.256 -1.442 0.00 0.00 +0.006 C ENDBRANCH 32 36 ENDBRANCH 1 32 TORSDOF 6