REMARK Name = LIG001156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.497 0.558 -0.216 0.00 0.00 +0.087 C ENDROOT BRANCH 1 8 ATOM 2 O LIG 1 -5.889 -0.580 0.722 0.00 0.00 -0.275 OA ATOM 3 C LIG 1 -4.733 -0.277 0.440 0.00 0.00 +0.219 C ATOM 4 N LIG 1 -3.863 0.169 1.403 0.00 0.00 -0.256 N ATOM 5 H LIG 1 -4.225 0.196 2.346 0.00 0.00 +0.157 HD ATOM 6 C LIG 1 -2.563 0.588 1.247 0.00 0.00 +0.223 C ATOM 7 O LIG 1 -1.926 1.011 2.208 0.00 0.00 -0.275 OA ATOM 8 C LIG 1 -2.032 0.596 -0.178 0.00 0.00 +0.086 C ATOM 9 C LIG 1 -2.705 -0.503 -1.004 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -4.214 -0.304 -0.977 0.00 0.00 +0.097 C ENDBRANCH 1 8 BRANCH 1 11 ATOM 11 S LIG 1 0.228 -1.040 0.312 0.00 0.00 -0.124 S BRANCH 11 12 ATOM 12 C LIG 1 1.948 -0.578 0.398 0.00 0.00 +0.010 A ATOM 13 C LIG 1 2.649 -0.183 -0.744 0.00 0.00 +0.047 A ATOM 14 C LIG 1 4.004 0.161 -0.637 0.00 0.00 +0.127 A ATOM 15 C LIG 1 4.665 0.105 0.597 0.00 0.00 +0.033 A ATOM 16 C LIG 1 3.961 -0.301 1.730 0.00 0.00 +0.003 A ATOM 17 C LIG 1 2.610 -0.643 1.629 0.00 0.00 +0.015 A BRANCH 14 18 ATOM 18 N LIG 1 4.738 0.585 -1.835 0.00 0.00 +0.056 N ATOM 19 O LIG 1 5.958 0.776 -1.727 0.00 0.00 -0.126 OA ATOM 20 O LIG 1 4.093 0.731 -2.883 0.00 0.00 -0.126 OA ENDBRANCH 14 18 ENDBRANCH 11 12 ENDBRANCH 1 11 TORSDOF 4