REMARK Name = LIG001366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.156 -2.064 -0.179 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.037 -2.210 1.194 0.00 0.00 +0.248 C ATOM 3 O LIG 1 3.751 -2.852 1.939 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.870 -1.423 1.600 0.00 0.00 +0.042 A ATOM 5 C LIG 1 1.357 -0.788 0.474 0.00 0.00 -0.016 A ATOM 6 C LIG 1 0.242 0.028 0.580 0.00 0.00 +0.029 A ATOM 7 C LIG 1 -0.346 0.214 1.845 0.00 0.00 +0.034 A ATOM 8 C LIG 1 0.200 -0.431 2.972 0.00 0.00 +0.024 A ATOM 9 C LIG 1 1.318 -1.266 2.856 0.00 0.00 +0.015 A ATOM 10 C LIG 1 2.188 -1.116 -0.717 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 7.330 -2.128 -3.732 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 6.494 -2.290 -2.849 0.00 0.00 +0.219 C ATOM 13 N LIG 1 6.480 -1.491 -1.734 0.00 0.00 -0.255 N ATOM 14 H LIG 1 7.137 -0.723 -1.761 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 5.392 -1.283 -0.917 0.00 0.00 +0.240 C ATOM 16 O LIG 1 5.269 -0.223 -0.305 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 4.380 -2.442 -0.874 0.00 0.00 +0.163 C ATOM 18 C LIG 1 4.131 -2.920 -2.302 0.00 0.00 +0.041 C ATOM 19 C LIG 1 5.446 -3.378 -2.916 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 N LIG 1 -1.472 1.061 1.900 0.00 0.00 -0.285 N ATOM 21 H LIG 1 -1.790 1.423 1.006 0.00 0.00 +0.155 HD ATOM 22 C LIG 1 -2.247 1.385 3.002 0.00 0.00 +0.222 C ATOM 23 O LIG 1 -2.062 1.007 4.156 0.00 0.00 -0.275 OA BRANCH 22 24 ATOM 24 C LIG 1 -3.385 2.350 2.686 0.00 0.00 +0.131 C BRANCH 24 25 ATOM 25 C LIG 1 -4.269 1.886 1.543 0.00 0.00 -0.031 A ATOM 26 C LIG 1 -4.200 2.432 0.225 0.00 0.00 -0.014 A ATOM 27 C LIG 1 -5.022 1.869 -0.786 0.00 0.00 -0.018 A ATOM 28 C LIG 1 -4.970 2.364 -2.099 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -4.124 3.415 -2.437 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -3.318 3.986 -1.464 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.889 0.809 -0.477 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -5.957 0.291 0.813 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -3.353 3.501 -0.154 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -5.150 0.821 1.813 0.00 0.00 +0.005 A ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 7 20 TORSDOF 4