REMARK Name = BDB010935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.801 -1.602 -1.383 0.00 0.00 -0.284 N ATOM 2 C LIG 1 -0.070 -0.783 -0.486 0.00 0.00 +0.263 A ATOM 3 O LIG 1 -0.423 0.317 -0.060 0.00 0.00 -0.267 OA ATOM 4 C LIG 1 1.269 -1.276 -0.039 0.00 0.00 +0.048 A ATOM 5 C LIG 1 1.775 -2.494 -0.512 0.00 0.00 +0.000 A ATOM 6 C LIG 1 3.046 -2.929 -0.079 0.00 0.00 +0.063 A ATOM 7 C LIG 1 3.779 -2.125 0.819 0.00 0.00 +0.018 A ATOM 8 C LIG 1 3.282 -0.903 1.288 0.00 0.00 -0.032 A ATOM 9 C LIG 1 0.944 -3.263 -1.435 0.00 0.00 +0.027 A ATOM 10 C LIG 1 2.017 -0.492 0.854 0.00 0.00 +0.018 A ATOM 11 C LIG 1 -0.253 -2.807 -1.815 0.00 0.00 +0.095 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.224 0.087 -1.519 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -2.942 -0.341 -1.096 0.00 0.00 +0.031 A ATOM 14 C LIG 1 -2.105 -1.175 -1.861 0.00 0.00 +0.050 A ATOM 15 C LIG 1 -2.591 -1.598 -3.107 0.00 0.00 +0.026 A ATOM 16 C LIG 1 -3.850 -1.208 -3.561 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.650 -0.381 -2.776 0.00 0.00 +0.005 A BRANCH 12 21 ATOM 18 C LIG 1 -6.544 3.554 0.803 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -5.351 3.159 -0.052 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -5.645 2.360 -1.337 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -5.166 1.041 -0.629 0.00 0.00 +0.056 C ATOM 22 C LIG 1 -4.508 1.968 0.449 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 -6.369 0.181 -0.044 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -6.301 -0.860 0.841 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.135 -1.437 1.451 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -7.582 -1.283 1.024 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -8.393 -0.557 0.292 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -7.629 0.359 -0.390 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 3.649 -4.233 -0.548 0.00 0.00 +0.418 C ATOM 30 F LIG 1 4.887 -4.481 -0.034 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.889 -5.312 -0.211 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.798 -4.287 -1.901 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 4.087 -0.047 2.245 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 5.061 0.866 1.644 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.147 0.234 0.908 0.00 0.00 +0.088 C ATOM 36 C LIG 1 7.331 1.215 0.780 0.00 0.00 +0.000 C ATOM 37 C LIG 1 8.305 0.722 -0.292 0.00 0.00 +0.009 C ATOM 38 C LIG 1 6.876 2.660 0.501 0.00 0.00 +0.006 C ATOM 39 C LIG 1 5.447 2.702 -0.023 0.00 0.00 +0.016 C ATOM 40 C LIG 1 4.471 2.006 0.937 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6