REMARK Name = BDB063102 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.218 2.085 0.261 0.00 0.00 +0.110 A ATOM 2 C LIG 1 3.081 2.831 0.548 0.00 0.00 +0.151 A ATOM 3 F LIG 1 3.144 4.148 0.792 0.00 0.00 -0.203 F ATOM 4 C LIG 1 1.839 2.208 0.603 0.00 0.00 +0.070 A ATOM 5 C LIG 1 1.719 0.849 0.381 0.00 0.00 +0.099 A ATOM 6 C LIG 1 2.894 0.148 0.110 0.00 0.00 +0.130 A ATOM 7 C LIG 1 2.693 -1.220 -0.105 0.00 0.00 +0.150 A ATOM 8 N LIG 1 1.477 -1.803 -0.048 0.00 0.00 -0.197 NA ATOM 9 C LIG 1 0.418 -1.032 0.220 0.00 0.00 +0.222 A ATOM 10 N LIG 1 0.506 0.285 0.435 0.00 0.00 -0.212 NA ATOM 11 N LIG 1 4.122 0.748 0.041 0.00 0.00 -0.239 NA ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 9.534 4.144 -0.092 0.00 0.00 +0.088 C ATOM 13 C LIG 1 8.139 3.616 0.022 0.00 0.00 +0.126 A ATOM 14 N LIG 1 7.125 4.473 -0.185 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 5.874 3.961 -0.101 0.00 0.00 +0.124 A ATOM 16 C LIG 1 5.575 2.638 0.175 0.00 0.00 +0.039 A ATOM 17 C LIG 1 6.707 1.858 0.352 0.00 0.00 +0.124 A ATOM 18 N LIG 1 7.982 2.308 0.281 0.00 0.00 -0.240 NA ENDBRANCH 1 16 BRANCH 9 19 ATOM 19 N LIG 1 -0.808 -1.695 0.265 0.00 0.00 -0.281 N ATOM 20 H LIG 1 -0.635 -2.677 0.089 0.00 0.00 +0.155 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.051 -1.234 0.499 0.00 0.00 +0.071 A ATOM 22 C LIG 1 -3.180 -2.014 0.520 0.00 0.00 +0.132 A ATOM 23 N LIG 1 -4.219 -1.164 0.785 0.00 0.00 -0.267 N ATOM 24 N LIG 1 -3.837 0.117 0.943 0.00 0.00 -0.177 NA ATOM 25 C LIG 1 -2.512 0.071 0.767 0.00 0.00 +0.157 A BRANCH 23 26 ATOM 26 C LIG 1 -5.625 -1.630 0.886 0.00 0.00 +0.108 C ATOM 27 C LIG 1 -6.648 -0.541 1.324 0.00 0.00 +0.036 C ATOM 28 C LIG 1 -6.987 -0.364 -0.131 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -8.404 -0.094 -0.559 0.00 0.00 +0.092 C ATOM 30 N LIG 1 -7.844 0.787 -1.622 0.00 0.00 -0.304 NA ATOM 31 C LIG 1 -8.535 2.072 -1.639 0.00 0.00 +0.104 C ATOM 32 C LIG 1 -6.569 0.894 -0.853 0.00 0.00 +0.092 C ATOM 33 C LIG 1 -6.324 -1.668 -0.505 0.00 0.00 +0.036 C ENDBRANCH 23 26 ENDBRANCH 19 21 ENDBRANCH 9 19 BRANCH 7 34 ATOM 34 N LIG 1 3.840 -2.028 -0.314 0.00 0.00 -0.325 N ATOM 35 H LIG 1 4.502 -1.488 -0.872 0.00 0.00 +0.148 HD BRANCH 34 36 ATOM 36 C LIG 1 3.622 -3.390 -0.801 0.00 0.00 +0.066 C ATOM 37 C LIG 1 4.868 -3.840 -1.569 0.00 0.00 +0.027 C ATOM 38 C LIG 1 3.379 -4.336 0.376 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 7 34 TORSDOF 6