REMARK Name = LIG000197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.708 -0.500 0.370 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.261 -0.688 -0.930 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.822 -0.408 -1.971 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.925 -1.284 -0.838 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.572 -1.354 0.507 0.00 0.00 -0.018 A ATOM 6 C LIG 1 1.343 -1.868 0.882 0.00 0.00 +0.011 A ATOM 7 C LIG 1 0.470 -2.325 -0.123 0.00 0.00 -0.030 A ATOM 8 C LIG 1 0.850 -2.236 -1.484 0.00 0.00 +0.006 A ATOM 9 C LIG 1 2.090 -1.711 -1.852 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.668 -0.790 1.348 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.944 3.022 0.253 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.043 2.190 0.319 0.00 0.00 +0.219 C ATOM 13 N LIG 1 6.727 2.576 0.353 0.00 0.00 -0.255 N ATOM 14 H LIG 1 6.556 3.570 0.287 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 5.621 1.788 0.575 0.00 0.00 +0.240 C ATOM 16 O LIG 1 4.515 2.302 0.742 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.886 0.282 0.729 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.149 -0.121 -0.033 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.322 0.712 0.462 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 -0.892 -2.859 0.240 0.00 0.00 +0.139 C BRANCH 20 21 ATOM 21 N LIG 1 -1.893 -1.824 0.123 0.00 0.00 -0.307 N ATOM 22 H LIG 1 -1.568 -0.876 0.009 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 -3.213 -2.112 0.356 0.00 0.00 +0.244 C ATOM 24 O LIG 1 -3.598 -3.242 0.643 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 -4.157 -0.964 0.252 0.00 0.00 +0.052 C ATOM 26 C LIG 1 -3.754 0.308 -0.424 0.00 0.00 +0.269 C ATOM 27 O LIG 1 -4.814 1.212 -0.778 0.00 0.00 -0.486 OA ATOM 28 C LIG 1 -5.994 1.111 -0.093 0.00 0.00 +0.140 A ATOM 29 C LIG 1 -6.320 -0.016 0.673 0.00 0.00 +0.018 A ATOM 30 C LIG 1 -7.557 -0.079 1.323 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -8.462 0.975 1.211 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -8.138 2.093 0.443 0.00 0.00 +0.016 A ATOM 33 C LIG 1 -6.902 2.172 -0.222 0.00 0.00 +0.097 A ATOM 34 C LIG 1 -5.384 -1.127 0.766 0.00 0.00 +0.023 C BRANCH 33 35 ATOM 35 C LIG 1 -6.558 3.377 -1.057 0.00 0.00 +0.421 C ATOM 36 F LIG 1 -6.367 3.082 -2.373 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -7.533 4.333 -1.040 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -5.427 4.013 -0.639 0.00 0.00 -0.166 F ENDBRANCH 33 35 ENDBRANCH 23 25 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5