REMARK Name = LIG000556 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.408 -0.875 0.063 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -3.247 -1.570 -0.241 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -3.048 -2.768 -0.165 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.260 -0.575 -0.677 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.877 0.674 -0.685 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -2.166 1.800 -1.057 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.822 1.641 -1.420 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -0.201 0.369 -1.420 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -0.936 -0.760 -1.033 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -4.303 0.542 -0.266 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -9.788 -1.761 0.546 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -8.562 -1.794 0.505 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -7.896 -1.922 -0.688 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -8.488 -1.914 -1.508 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -6.582 -1.582 -0.922 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -6.207 -1.330 -2.065 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -5.675 -1.549 0.320 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.435 -0.922 1.485 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -7.707 -1.714 1.748 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 1.254 0.240 -1.794 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 2.024 0.448 -0.608 0.00 0.00 -0.445 OA BRANCH 21 22 ATOM 22 C LIG 1 3.364 0.485 -0.823 0.00 0.00 +0.405 C ATOM 23 N LIG 1 3.980 0.688 0.377 0.00 0.00 -0.248 N ATOM 24 H LIG 1 3.347 0.758 1.165 0.00 0.00 +0.158 HD ATOM 25 O LIG 1 3.884 0.359 -1.920 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 5.354 0.812 0.649 0.00 0.00 +0.075 A ATOM 27 C LIG 1 5.726 1.026 1.980 0.00 0.00 +0.145 A ATOM 28 F LIG 1 4.781 1.097 2.930 0.00 0.00 -0.204 F ATOM 29 C LIG 1 7.060 1.170 2.346 0.00 0.00 +0.044 A ATOM 30 C LIG 1 8.057 1.098 1.371 0.00 0.00 +0.049 A ATOM 31 C LIG 1 7.712 0.880 0.035 0.00 0.00 +0.132 A ATOM 32 C LIG 1 6.359 0.740 -0.318 0.00 0.00 +0.072 A BRANCH 31 33 ATOM 33 O LIG 1 8.579 0.783 -1.017 0.00 0.00 -0.406 OA BRANCH 33 34 ATOM 34 C LIG 1 9.963 0.947 -0.758 0.00 0.00 +0.575 C ATOM 35 F LIG 1 10.414 0.007 0.099 0.00 0.00 -0.133 F ATOM 36 F LIG 1 10.219 2.174 -0.255 0.00 0.00 -0.133 F ATOM 37 F LIG 1 10.642 0.818 -1.920 0.00 0.00 -0.133 F ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 7