REMARK Name = LIG001714 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.686 -0.200 0.246 0.00 0.00 -0.299 N ATOM 2 H LIG 1 -0.287 -0.984 0.751 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 0.038 0.969 0.175 0.00 0.00 +0.261 C ATOM 4 O LIG 1 -0.500 2.050 -0.038 0.00 0.00 -0.269 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 1.461 0.826 0.392 0.00 0.00 +0.104 A ATOM 6 N LIG 1 2.178 -0.352 0.368 0.00 0.00 -0.335 N ATOM 7 H LIG 1 1.809 -1.272 0.177 0.00 0.00 +0.167 HD ATOM 8 C LIG 1 3.502 -0.110 0.602 0.00 0.00 +0.143 A ATOM 9 C LIG 1 3.671 1.253 0.770 0.00 0.00 +0.056 A ATOM 10 C LIG 1 4.977 1.649 1.013 0.00 0.00 +0.142 A ATOM 11 N LIG 1 5.990 0.772 1.079 0.00 0.00 -0.223 NA ATOM 12 C LIG 1 5.672 -0.521 0.894 0.00 0.00 +0.225 A ATOM 13 CL LIG 1 5.312 3.296 1.235 0.00 0.00 -0.061 Cl ATOM 14 N LIG 1 4.457 -1.051 0.650 0.00 0.00 -0.218 NA ATOM 15 C LIG 1 2.385 1.838 0.628 0.00 0.00 +0.045 A ENDBRANCH 3 5 BRANCH 1 22 ATOM 16 O LIG 1 -5.732 -1.839 -0.970 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 -4.702 -1.292 -0.589 0.00 0.00 +0.219 C ATOM 18 N LIG 1 -3.962 -1.822 0.438 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -4.286 -2.720 0.773 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -2.654 -1.520 0.723 0.00 0.00 +0.240 C ATOM 21 O LIG 1 -1.944 -2.288 1.373 0.00 0.00 -0.273 OA ATOM 22 C LIG 1 -2.143 -0.175 0.199 0.00 0.00 +0.160 C ATOM 23 C LIG 1 -2.677 0.042 -1.212 0.00 0.00 +0.041 C ATOM 24 C LIG 1 -4.198 -0.001 -1.190 0.00 0.00 +0.098 C ENDBRANCH 1 22 TORSDOF 2