REMARK Name = LIG000284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.881 -0.994 -0.144 0.00 0.00 +0.149 A ATOM 2 C LIG 1 1.998 -1.799 -0.300 0.00 0.00 +0.116 A ATOM 3 S LIG 1 1.541 -3.436 -0.543 0.00 0.00 -0.088 S ATOM 4 C LIG 1 -0.113 -3.082 -0.299 0.00 0.00 +0.059 A ATOM 5 C LIG 1 -0.343 -1.737 -0.096 0.00 0.00 +0.053 A ENDROOT BRANCH 5 6 ATOM 6 C LIG 1 -1.665 -1.154 0.149 0.00 0.00 +0.117 A ATOM 7 N LIG 1 -1.880 0.196 0.141 0.00 0.00 -0.129 NA ATOM 8 N LIG 1 -3.164 0.416 0.385 0.00 0.00 -0.064 NA ATOM 9 N LIG 1 -3.759 -0.778 0.545 0.00 0.00 -0.239 N ATOM 10 C LIG 1 -2.853 -1.794 0.415 0.00 0.00 +0.139 A BRANCH 9 11 ATOM 11 C LIG 1 -5.168 -0.885 0.879 0.00 0.00 +0.195 C ATOM 12 C LIG 1 -5.899 -1.674 -0.191 0.00 0.00 +0.244 C ATOM 13 O LIG 1 -5.837 -2.903 -0.257 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -6.633 -0.970 -1.113 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -7.123 -1.523 -1.806 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -6.917 0.372 -1.122 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -7.696 0.848 -1.942 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -6.196 1.219 -0.104 0.00 0.00 +0.099 C ATOM 19 C LIG 1 -5.903 0.432 1.168 0.00 0.00 +0.045 C ENDBRANCH 9 11 ENDBRANCH 5 6 BRANCH 2 20 ATOM 20 C LIG 1 3.415 -1.460 -0.293 0.00 0.00 +0.255 C ATOM 21 N LIG 1 3.720 -0.274 0.348 0.00 0.00 -0.308 N ATOM 22 H LIG 1 2.942 0.301 0.655 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 4.293 -2.159 -0.797 0.00 0.00 -0.269 OA BRANCH 21 24 ATOM 24 C LIG 1 5.049 0.289 0.346 0.00 0.00 +0.073 C ATOM 25 C LIG 1 5.299 1.195 1.546 0.00 0.00 +0.022 C ATOM 26 C LIG 1 6.519 1.992 1.114 0.00 0.00 +0.002 C ATOM 27 C LIG 1 6.299 2.258 -0.373 0.00 0.00 +0.002 C ATOM 28 C LIG 1 5.297 1.206 -0.854 0.00 0.00 +0.022 C ENDBRANCH 21 24 ENDBRANCH 2 20 BRANCH 1 30 ATOM 29 C LIG 1 0.875 1.034 -1.224 0.00 0.00 +0.277 C ATOM 30 O LIG 1 0.997 0.349 0.025 0.00 0.00 -0.493 OA ENDBRANCH 1 30 TORSDOF 5