REMARK Name = BDB016108 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.785 2.108 0.206 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.033 1.018 -0.048 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.255 1.197 -0.405 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -1.808 2.471 -0.541 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -0.950 3.518 -0.257 0.00 0.00 +0.125 A ATOM 6 N LIG 1 0.334 3.370 0.123 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.080 0.379 1.068 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.746 0.600 0.686 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.191 1.896 0.607 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.036 2.975 0.926 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.365 2.773 1.304 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.883 1.482 1.373 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 4.524 -4.536 1.647 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.802 -3.141 1.404 0.00 0.00 -0.274 N ATOM 15 N LIG 1 6.060 -2.756 1.127 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 5.952 -1.435 0.966 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.628 -0.966 1.138 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.909 -2.109 1.426 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -3.172 2.722 -0.966 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -4.002 3.690 -0.436 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -5.187 3.586 -1.107 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -6.373 4.383 -0.909 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -5.190 2.616 -2.038 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.962 2.096 -1.957 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.030 0.050 -0.674 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -2.924 0.119 -0.186 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.352 -1.237 -0.420 0.00 0.00 +0.185 C BRANCH 27 28 ATOM 28 C LIG 1 -2.289 -2.429 -0.655 0.00 0.00 +0.334 C ATOM 29 F LIG 1 -2.746 -2.407 -1.935 0.00 0.00 -0.197 F ATOM 30 F LIG 1 -3.384 -2.282 0.143 0.00 0.00 -0.197 F BRANCH 28 31 ATOM 31 C LIG 1 -1.582 -3.732 -0.361 0.00 0.00 +0.404 C ATOM 32 F LIG 1 -1.121 -3.731 0.926 0.00 0.00 -0.189 F ATOM 33 F LIG 1 -0.468 -3.850 -1.142 0.00 0.00 -0.189 F BRANCH 31 34 ATOM 34 C LIG 1 -2.521 -4.898 -0.589 0.00 0.00 +0.460 C ATOM 35 F LIG 1 -1.903 -6.078 -0.322 0.00 0.00 -0.165 F ATOM 36 F LIG 1 -2.960 -4.971 -1.866 0.00 0.00 -0.165 F ATOM 37 F LIG 1 -3.612 -4.845 0.210 0.00 0.00 -0.165 F ENDBRANCH 31 34 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8