REMARK Name = LIG000815 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.266 -0.350 0.881 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.337 -0.479 1.909 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.500 -0.305 3.101 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.071 -0.893 1.297 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -3.299 -1.115 -0.057 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -2.264 -1.524 -0.884 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -0.983 -1.700 -0.329 0.00 0.00 -0.012 A ATOM 8 C LIG 1 -0.783 -1.472 1.053 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -1.834 -1.065 1.882 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -4.736 -0.877 -0.376 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -7.639 3.361 -0.773 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -7.464 2.329 -0.130 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -7.875 1.117 -0.623 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -8.327 1.146 -1.527 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -7.517 -0.132 -0.173 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -7.728 -1.122 -0.873 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -6.704 -0.193 1.131 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -7.047 1.044 1.970 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -6.737 2.314 1.191 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 0.114 -2.138 -1.178 0.00 0.00 +0.046 A ATOM 21 C LIG 1 1.430 -1.718 -1.085 0.00 0.00 +0.165 A ATOM 22 N LIG 1 2.120 -2.383 -2.101 0.00 0.00 -0.221 N ATOM 23 C LIG 1 3.479 -2.178 -2.278 0.00 0.00 +0.118 A ATOM 24 C LIG 1 4.148 -1.335 -1.481 0.00 0.00 +0.063 A ATOM 25 C LIG 1 3.355 -0.638 -0.414 0.00 0.00 +0.123 A ATOM 26 N LIG 1 1.310 -3.190 -2.827 0.00 0.00 -0.173 NA ATOM 27 N LIG 1 2.066 -0.840 -0.246 0.00 0.00 -0.213 NA ATOM 28 C LIG 1 0.111 -3.036 -2.267 0.00 0.00 +0.145 A BRANCH 25 29 ATOM 29 N LIG 1 3.889 0.257 0.477 0.00 0.00 -0.326 N ATOM 30 H LIG 1 3.156 0.666 1.053 0.00 0.00 +0.148 HD BRANCH 29 31 ATOM 31 C LIG 1 5.134 0.993 0.474 0.00 0.00 +0.072 C ATOM 32 C LIG 1 6.325 0.097 0.834 0.00 0.00 +0.028 C ATOM 33 C LIG 1 7.636 0.881 0.830 0.00 0.00 +0.077 C ATOM 34 C LIG 1 7.828 1.635 -0.476 0.00 0.00 +0.249 C ATOM 35 F LIG 1 8.972 2.357 -0.418 0.00 0.00 -0.206 F ATOM 36 F LIG 1 7.980 0.741 -1.486 0.00 0.00 -0.206 F ATOM 37 C LIG 1 6.662 2.555 -0.797 0.00 0.00 +0.077 C ATOM 38 C LIG 1 5.339 1.791 -0.817 0.00 0.00 +0.028 C ENDBRANCH 29 31 ENDBRANCH 25 29 ENDBRANCH 7 20 TORSDOF 4