REMARK Name = LIG001078 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.532 0.272 0.480 0.00 0.00 +0.113 A ATOM 2 N LIG 1 0.249 0.074 -0.845 0.00 0.00 -0.129 NA ATOM 3 N LIG 1 -1.065 -0.054 -0.972 0.00 0.00 -0.064 NA ATOM 4 N LIG 1 -1.601 0.060 0.258 0.00 0.00 -0.239 N ATOM 5 C LIG 1 -0.640 0.279 1.201 0.00 0.00 +0.139 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -3.040 0.008 0.448 0.00 0.00 +0.195 C ATOM 7 C LIG 1 -3.526 -1.431 0.443 0.00 0.00 +0.244 C ATOM 8 O LIG 1 -2.920 -2.351 0.988 0.00 0.00 -0.273 OA ATOM 9 N LIG 1 -4.765 -1.661 -0.112 0.00 0.00 -0.255 N ATOM 10 H LIG 1 -5.090 -2.619 -0.073 0.00 0.00 +0.158 HD ATOM 11 C LIG 1 -5.726 -0.728 -0.410 0.00 0.00 +0.219 C ATOM 12 O LIG 1 -6.887 -1.059 -0.629 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -5.297 0.718 -0.349 0.00 0.00 +0.099 C ATOM 14 C LIG 1 -3.800 0.853 -0.579 0.00 0.00 +0.045 C ENDBRANCH 4 6 BRANCH 1 18 ATOM 15 C LIG 1 4.236 0.605 0.698 0.00 0.00 +0.159 A ATOM 16 S LIG 1 3.993 0.809 2.387 0.00 0.00 -0.060 S ATOM 17 C LIG 1 2.299 0.650 2.246 0.00 0.00 +0.059 A ATOM 18 C LIG 1 1.906 0.446 0.944 0.00 0.00 +0.014 A ATOM 19 C LIG 1 3.024 0.419 0.055 0.00 0.00 +0.064 A BRANCH 15 20 ATOM 20 O LIG 1 5.496 0.646 0.244 0.00 0.00 -0.486 OA BRANCH 20 22 ATOM 21 C LIG 1 5.800 -0.975 -1.536 0.00 0.00 +0.048 C ATOM 22 C LIG 1 5.707 0.493 -1.157 0.00 0.00 +0.226 C ENDBRANCH 20 22 ENDBRANCH 15 20 ENDBRANCH 1 18 TORSDOF 4