REMARK Name = LIG000970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.308 2.289 -1.098 0.00 0.00 -0.280 N ATOM 2 C LIG 1 -1.694 1.155 -0.600 0.00 0.00 +0.172 A ATOM 3 C LIG 1 -0.338 1.393 -0.718 0.00 0.00 +0.148 A ATOM 4 C LIG 1 0.521 0.380 -0.271 0.00 0.00 +0.152 A ATOM 5 N LIG 1 -0.042 -0.744 0.236 0.00 0.00 -0.197 NA ATOM 6 C LIG 1 -1.386 -0.885 0.305 0.00 0.00 +0.222 A ATOM 7 N LIG 1 -0.088 2.632 -1.261 0.00 0.00 -0.230 NA ATOM 8 N LIG 1 -2.265 0.047 -0.100 0.00 0.00 -0.194 NA ATOM 9 C LIG 1 -1.284 3.136 -1.478 0.00 0.00 +0.206 A ENDROOT BRANCH 6 10 ATOM 10 N LIG 1 -1.881 -2.049 0.855 0.00 0.00 -0.297 N ATOM 11 C LIG 1 -1.004 -3.218 0.935 0.00 0.00 +0.123 C ATOM 12 C LIG 1 -1.785 -4.527 0.673 0.00 0.00 +0.100 C ATOM 13 N LIG 1 -2.987 -4.730 1.501 0.00 0.00 -0.313 NA ATOM 14 H LIG 1 -2.716 -5.146 2.392 0.00 0.00 +0.122 HD ATOM 15 C LIG 1 -3.677 -3.455 1.781 0.00 0.00 +0.100 C ATOM 16 C LIG 1 -3.325 -2.280 0.841 0.00 0.00 +0.123 C ENDBRANCH 6 10 BRANCH 1 21 ATOM 17 C LIG 1 -6.706 4.365 -1.987 0.00 0.00 +0.172 C ATOM 18 N LIG 1 -5.643 3.470 -1.599 0.00 0.00 -0.272 N ATOM 19 N LIG 1 -5.949 2.272 -1.070 0.00 0.00 -0.178 NA ATOM 20 C LIG 1 -4.758 1.714 -0.831 0.00 0.00 +0.160 A ATOM 21 C LIG 1 -3.694 2.555 -1.208 0.00 0.00 +0.087 A ATOM 22 C LIG 1 -4.298 3.691 -1.705 0.00 0.00 +0.134 A ENDBRANCH 1 21 BRANCH 4 23 ATOM 23 N LIG 1 1.916 0.512 -0.360 0.00 0.00 -0.320 N ATOM 24 H LIG 1 2.134 1.502 -0.487 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 2.628 -0.084 0.767 0.00 0.00 +0.177 C BRANCH 25 26 ATOM 26 C LIG 1 4.115 -0.007 0.610 0.00 0.00 +0.125 A ATOM 27 N LIG 1 4.718 -0.311 -0.587 0.00 0.00 -0.341 N ATOM 28 H LIG 1 4.221 -0.576 -1.427 0.00 0.00 +0.167 HD ATOM 29 C LIG 1 6.071 -0.154 -0.439 0.00 0.00 +0.068 A ATOM 30 C LIG 1 6.226 0.249 0.882 0.00 0.00 +0.091 A ATOM 31 C LIG 1 7.512 0.504 1.378 0.00 0.00 +0.051 A ATOM 32 C LIG 1 8.607 0.343 0.518 0.00 0.00 +0.061 A ATOM 33 C LIG 1 8.423 -0.064 -0.813 0.00 0.00 +0.061 A ATOM 34 CL LIG 1 9.752 -0.272 -1.902 0.00 0.00 -0.082 Cl ATOM 35 CL LIG 1 10.177 0.668 1.170 0.00 0.00 -0.082 Cl ATOM 36 C LIG 1 7.141 -0.322 -1.321 0.00 0.00 +0.049 A ATOM 37 N LIG 1 5.012 0.336 1.514 0.00 0.00 -0.231 NA ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 4 23 TORSDOF 5