REMARK Name = LIG001771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.180 1.020 -0.744 0.00 0.00 +0.265 C ATOM 2 N LIG 1 1.129 0.157 -0.216 0.00 0.00 -0.203 N ATOM 3 H LIG 1 0.857 -0.587 0.415 0.00 0.00 +0.178 HD ATOM 4 O LIG 1 0.395 2.011 -1.428 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -1.685 3.022 0.413 0.00 0.00 +0.066 C ATOM 6 C LIG 1 -2.086 1.599 0.156 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -1.213 0.666 -0.393 0.00 0.00 +0.060 A ATOM 8 C LIG 1 -1.676 -0.632 -0.617 0.00 0.00 +0.025 A ATOM 9 C LIG 1 -2.989 -0.975 -0.275 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -3.815 0.018 0.295 0.00 0.00 +0.074 A ATOM 11 C LIG 1 -5.127 -0.330 0.640 0.00 0.00 -0.025 A ATOM 12 C LIG 1 -5.607 -1.632 0.419 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -4.785 -2.600 -0.148 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -6.040 0.702 1.247 0.00 0.00 +0.046 C ATOM 15 C LIG 1 -3.478 -2.273 -0.495 0.00 0.00 +0.010 A ATOM 16 N LIG 1 -3.361 1.272 0.504 0.00 0.00 -0.251 NA ENDBRANCH 1 7 BRANCH 2 17 ATOM 17 N LIG 1 2.450 0.361 -0.479 0.00 0.00 -0.187 NA ATOM 18 C LIG 1 3.274 -0.429 0.127 0.00 0.00 +0.139 C BRANCH 18 19 ATOM 19 C LIG 1 4.744 -0.350 -0.026 0.00 0.00 +0.013 A ATOM 20 C LIG 1 5.408 0.208 -1.126 0.00 0.00 +0.050 A ATOM 21 CL LIG 1 4.611 0.824 -2.527 0.00 0.00 -0.083 Cl ATOM 22 C LIG 1 6.809 0.235 -1.145 0.00 0.00 +0.020 A ATOM 23 C LIG 1 7.547 -0.294 -0.084 0.00 0.00 +0.001 A ATOM 24 C LIG 1 6.888 -0.861 1.003 0.00 0.00 +0.001 A ATOM 25 C LIG 1 5.493 -0.893 1.032 0.00 0.00 +0.011 A ENDBRANCH 18 19 ENDBRANCH 2 17 TORSDOF 3