REMARK Name = LIG000255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.899 -0.303 -0.176 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -2.534 0.077 1.107 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -3.249 0.280 2.068 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.074 0.219 1.109 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -0.616 0.006 -0.187 0.00 0.00 -0.017 A ATOM 6 C LIG 1 0.737 0.086 -0.473 0.00 0.00 +0.014 A ATOM 7 C LIG 1 1.642 0.386 0.567 0.00 0.00 -0.016 A ATOM 8 C LIG 1 1.139 0.598 1.876 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -0.229 0.518 2.157 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -1.769 -0.263 -1.095 0.00 0.00 +0.144 C ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 3.084 0.480 0.298 0.00 0.00 +0.001 A ATOM 12 C LIG 1 3.791 -0.557 -0.318 0.00 0.00 +0.020 A ATOM 13 C LIG 1 5.169 -0.441 -0.563 0.00 0.00 +0.001 A ATOM 14 C LIG 1 5.814 0.750 -0.171 0.00 0.00 +0.071 A ATOM 15 C LIG 1 7.176 0.869 -0.411 0.00 0.00 +0.028 A ATOM 16 C LIG 1 7.907 -0.154 -1.023 0.00 0.00 +0.002 A ATOM 17 C LIG 1 7.268 -1.327 -1.407 0.00 0.00 +0.001 A ATOM 18 N LIG 1 5.155 1.759 0.421 0.00 0.00 -0.254 NA ATOM 19 C LIG 1 5.901 -1.473 -1.178 0.00 0.00 +0.010 A ATOM 20 C LIG 1 3.826 1.607 0.639 0.00 0.00 +0.120 A ENDBRANCH 7 11 BRANCH 1 27 ATOM 21 O LIG 1 -8.314 0.533 -0.756 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -7.118 0.277 -0.652 0.00 0.00 +0.219 C ATOM 23 N LIG 1 -6.168 1.249 -0.841 0.00 0.00 -0.255 N ATOM 24 H LIG 1 -6.517 2.178 -1.034 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 -4.803 1.095 -0.909 0.00 0.00 +0.240 C ATOM 26 O LIG 1 -4.088 2.036 -1.252 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 -4.273 -0.328 -0.666 0.00 0.00 +0.163 C ATOM 28 C LIG 1 -5.232 -1.113 0.228 0.00 0.00 +0.041 C ATOM 29 C LIG 1 -6.614 -1.126 -0.406 0.00 0.00 +0.098 C ENDBRANCH 1 27 TORSDOF 2