REMARK Name = BDB010095 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.131 -1.019 -0.685 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.777 -1.348 -0.678 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.340 -2.464 -1.376 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.010 -2.619 -1.288 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 1.445 -1.607 -0.565 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -1.141 -3.297 -2.054 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.426 -2.931 -2.001 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.378 -0.836 -0.124 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -2.941 -1.854 -1.365 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.849 -1.383 -0.222 0.00 0.00 +0.018 A ATOM 11 C LIG 1 3.556 -2.372 0.476 0.00 0.00 +0.015 A ATOM 12 C LIG 1 4.896 -2.178 0.838 0.00 0.00 -0.050 A ATOM 13 C LIG 1 5.651 -3.258 1.555 0.00 0.00 +0.044 C ATOM 14 C LIG 1 5.538 -0.993 0.460 0.00 0.00 +0.003 A ATOM 15 C LIG 1 4.850 -0.014 -0.256 0.00 0.00 +0.001 A ATOM 16 C LIG 1 3.512 -0.210 -0.600 0.00 0.00 +0.011 A ENDBRANCH 5 10 BRANCH 1 17 ATOM 17 N LIG 1 -2.664 0.110 -0.096 0.00 0.00 -0.325 N ATOM 18 H LIG 1 -2.103 0.633 0.555 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -4.112 0.229 0.077 0.00 0.00 +0.068 C ATOM 20 C LIG 1 -4.460 1.714 0.202 0.00 0.00 +0.028 C BRANCH 19 22 ATOM 21 C LIG 1 -4.007 -0.171 2.630 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -4.596 -0.589 1.288 0.00 0.00 +0.018 C ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 1 17 BRANCH 7 23 ATOM 23 C LIG 1 -3.427 -3.797 -2.719 0.00 0.00 +0.375 C ATOM 24 O LIG 1 -4.636 -3.630 -2.768 0.00 0.00 -0.242 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.870 -4.855 -3.353 0.00 0.00 -0.475 OA ATOM 26 H LIG 1 -3.629 -5.314 -3.767 0.00 0.00 +0.296 HD ENDBRANCH 23 25 ENDBRANCH 7 23 BRANCH 8 27 ATOM 27 C LIG 1 0.471 0.185 0.911 0.00 0.00 +0.159 C BRANCH 27 28 ATOM 28 C LIG 1 0.722 1.582 0.391 0.00 0.00 -0.028 A ATOM 29 C LIG 1 0.127 2.084 -0.775 0.00 0.00 +0.006 A ATOM 30 C LIG 1 0.370 3.395 -1.197 0.00 0.00 +0.013 A ATOM 31 C LIG 1 1.211 4.240 -0.462 0.00 0.00 +0.055 A ATOM 32 C LIG 1 1.790 3.751 0.716 0.00 0.00 +0.013 A ATOM 33 C LIG 1 1.546 2.441 1.137 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 1.455 5.662 -0.905 0.00 0.00 +0.417 C ATOM 35 F LIG 1 0.563 6.532 -0.359 0.00 0.00 -0.166 F ATOM 36 F LIG 1 1.364 5.826 -2.254 0.00 0.00 -0.166 F ATOM 37 F LIG 1 2.689 6.123 -0.557 0.00 0.00 -0.166 F ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9