REMARK Name = LIG000275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.178 -1.056 -1.231 0.00 0.00 +0.107 A ATOM 2 C LIG 1 0.809 -0.399 -0.484 0.00 0.00 +0.053 A ATOM 3 C LIG 1 1.495 0.687 -1.032 0.00 0.00 +0.054 A ATOM 4 C LIG 1 1.213 1.064 -2.360 0.00 0.00 +0.062 A ATOM 5 CL LIG 1 2.046 2.385 -3.107 0.00 0.00 -0.082 Cl ATOM 6 C LIG 1 0.244 0.390 -3.111 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -0.458 -0.673 -2.545 0.00 0.00 +0.030 A ENDROOT BRANCH 3 8 ATOM 8 N LIG 1 2.471 1.421 -0.314 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.955 2.127 -0.859 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 2.746 1.344 1.034 0.00 0.00 +0.241 C ATOM 11 O LIG 1 2.158 0.661 1.862 0.00 0.00 -0.271 OA BRANCH 10 12 ATOM 12 C LIG 1 3.865 2.248 1.426 0.00 0.00 +0.060 C ATOM 13 C LIG 1 4.241 2.352 2.707 0.00 0.00 +0.013 C ENDBRANCH 10 12 ENDBRANCH 3 8 BRANCH 1 14 ATOM 14 S LIG 1 -1.036 -2.446 -0.511 0.00 0.00 +0.061 S ATOM 15 O LIG 1 -0.068 -3.193 0.261 0.00 0.00 -0.153 OA ATOM 16 O LIG 1 -1.781 -3.080 -1.579 0.00 0.00 -0.153 OA BRANCH 14 17 ATOM 17 N LIG 1 -2.150 -1.717 0.544 0.00 0.00 -0.168 NA ATOM 18 C LIG 1 -1.603 -1.102 1.772 0.00 0.00 +0.132 C BRANCH 17 19 ATOM 19 C LIG 1 -3.213 -0.922 -0.103 0.00 0.00 +0.197 C BRANCH 19 21 ATOM 20 C LIG 1 -5.384 -0.751 1.446 0.00 0.00 +0.005 C ATOM 21 C LIG 1 -4.407 -0.827 0.751 0.00 0.00 -0.088 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 14 17 ENDBRANCH 1 14 TORSDOF 6