REMARK Name = LIG000495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.236 0.519 -0.831 0.00 0.00 -0.274 N ATOM 2 C LIG 1 1.029 1.231 -0.980 0.00 0.00 +0.223 C ATOM 3 O LIG 1 0.968 2.410 -1.340 0.00 0.00 -0.275 OA ATOM 4 C LIG 1 2.291 -0.836 -0.269 0.00 0.00 +0.138 C ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -0.282 0.512 -0.617 0.00 0.00 +0.078 C ATOM 6 C LIG 1 -0.402 0.309 0.906 0.00 0.00 +0.032 C ATOM 7 C LIG 1 -1.640 0.964 1.511 0.00 0.00 +0.109 C ATOM 8 N LIG 1 -2.849 0.577 0.790 0.00 0.00 -0.298 N ATOM 9 C LIG 1 -3.988 0.276 1.526 0.00 0.00 +0.239 C ATOM 10 O LIG 1 -4.020 0.319 2.754 0.00 0.00 -0.271 OA ATOM 11 C LIG 1 -2.803 0.677 -0.668 0.00 0.00 +0.109 C ATOM 12 C LIG 1 -1.497 1.273 -1.180 0.00 0.00 +0.032 C BRANCH 9 13 ATOM 13 C LIG 1 -5.203 -0.125 0.760 0.00 0.00 +0.068 C ATOM 14 C LIG 1 -6.380 -0.241 1.396 0.00 0.00 +0.013 C BRANCH 14 15 ATOM 15 C LIG 1 -7.626 -0.656 0.741 0.00 0.00 -0.025 A ATOM 16 C LIG 1 -7.990 -0.199 -0.531 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -9.200 -0.595 -1.110 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -10.079 -1.442 -0.420 0.00 0.00 +0.055 A ATOM 19 C LIG 1 -9.717 -1.893 0.857 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -8.507 -1.495 1.434 0.00 0.00 +0.008 A BRANCH 18 21 ATOM 21 C LIG 1 -11.375 -1.886 -1.053 0.00 0.00 +0.417 C ATOM 22 F LIG 1 -12.354 -2.151 -0.144 0.00 0.00 -0.166 F ATOM 23 F LIG 1 -11.228 -3.024 -1.786 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -11.899 -0.959 -1.903 0.00 0.00 -0.166 F ENDBRANCH 18 21 ENDBRANCH 14 15 ENDBRANCH 9 13 ENDBRANCH 2 5 BRANCH 1 27 ATOM 25 C LIG 1 5.935 1.290 -0.797 0.00 0.00 +0.004 A ATOM 26 C LIG 1 4.689 0.709 -0.503 0.00 0.00 +0.033 A ATOM 27 C LIG 1 3.510 1.132 -1.142 0.00 0.00 +0.037 A ATOM 28 C LIG 1 3.632 2.144 -2.105 0.00 0.00 +0.023 A ATOM 29 C LIG 1 4.872 2.715 -2.417 0.00 0.00 +0.002 A ATOM 30 C LIG 1 6.025 2.288 -1.768 0.00 0.00 +0.010 A BRANCH 25 37 ATOM 31 C LIG 1 7.908 -3.267 1.130 0.00 0.00 +0.090 C ATOM 32 C LIG 1 8.739 -2.061 1.319 0.00 0.00 +0.152 A ATOM 33 N LIG 1 8.362 -0.813 0.884 0.00 0.00 -0.197 N ATOM 34 C LIG 1 9.398 0.022 1.245 0.00 0.00 +0.178 A ATOM 35 C LIG 1 9.273 1.388 0.926 0.00 0.00 +0.052 A ATOM 36 C LIG 1 8.178 1.811 0.281 0.00 0.00 +0.034 A ATOM 37 C LIG 1 7.138 0.791 -0.072 0.00 0.00 +0.092 A ATOM 38 N LIG 1 10.334 -0.670 1.856 0.00 0.00 -0.128 NA ATOM 39 N LIG 1 7.209 -0.474 0.230 0.00 0.00 -0.163 NA ATOM 40 N LIG 1 9.919 -1.984 1.903 0.00 0.00 -0.132 NA ENDBRANCH 25 37 ENDBRANCH 1 27 TORSDOF 6