REMARK Name = BDB057956 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.041 1.125 -2.062 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.494 0.070 -1.261 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -2.375 -0.891 -1.786 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.785 -0.770 -3.124 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -2.356 0.303 -3.910 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.491 1.258 -3.377 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 2.677 0.728 -2.475 0.00 0.00 +0.030 C ATOM 8 C LIG 1 1.774 0.506 -1.255 0.00 0.00 +0.093 C ATOM 9 N LIG 1 1.054 1.744 -0.887 0.00 0.00 -0.286 N ATOM 10 C LIG 1 -0.131 2.151 -1.508 0.00 0.00 +0.247 C ATOM 11 O LIG 1 -0.477 3.325 -1.600 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 1.855 2.830 -0.306 0.00 0.00 +0.184 C ATOM 13 C LIG 1 2.962 2.314 0.540 0.00 0.00 +0.151 A ATOM 14 N LIG 1 3.802 3.011 1.270 0.00 0.00 -0.133 NA ATOM 15 N LIG 1 4.675 2.133 1.857 0.00 0.00 -0.134 NA ATOM 16 C LIG 1 4.365 0.901 1.489 0.00 0.00 +0.139 A ATOM 17 N LIG 1 3.293 0.986 0.635 0.00 0.00 -0.311 N ATOM 18 C LIG 1 2.550 -0.046 -0.049 0.00 0.00 +0.147 C BRANCH 16 19 ATOM 19 C LIG 1 5.100 -0.345 1.942 0.00 0.00 +0.022 C ATOM 20 C LIG 1 6.056 0.021 3.103 0.00 0.00 +0.019 C ATOM 21 C LIG 1 4.137 -1.422 2.471 0.00 0.00 +0.019 C ATOM 22 C LIG 1 5.956 -0.908 0.795 0.00 0.00 +0.019 C ENDBRANCH 16 19 ENDBRANCH 1 10 BRANCH 3 23 ATOM 23 C LIG 1 -2.836 -2.065 -0.927 0.00 0.00 +0.318 C ATOM 24 F LIG 1 -1.752 -2.853 -0.622 0.00 0.00 -0.193 F ATOM 25 F LIG 1 -3.665 -2.912 -1.617 0.00 0.00 -0.193 F BRANCH 23 26 ATOM 26 C LIG 1 -3.521 -1.571 0.368 0.00 0.00 +0.142 A ATOM 27 C LIG 1 -4.940 -1.116 0.332 0.00 0.00 +0.016 A ATOM 28 C LIG 1 -5.492 -0.659 1.529 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -6.816 -0.205 1.585 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -7.598 -0.205 0.432 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -7.057 -0.660 -0.768 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -4.671 -0.653 2.750 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -5.120 -0.275 3.825 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -3.380 -1.094 2.608 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -2.801 -1.099 3.444 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -5.734 -1.114 -0.822 0.00 0.00 +0.011 A ATOM 37 N LIG 1 -2.806 -1.540 1.461 0.00 0.00 -0.169 NA ENDBRANCH 23 26 ENDBRANCH 3 23 TORSDOF 4