REMARK Name = LIG001834 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 S LIG 1 0.130 -2.444 -0.210 0.00 0.00 -0.002 S ATOM 2 O LIG 1 -0.376 -2.544 -1.568 0.00 0.00 -0.169 OA ATOM 3 O LIG 1 0.681 -3.615 0.446 0.00 0.00 -0.169 OA ENDROOT BRANCH 1 8 ATOM 4 C LIG 1 4.489 1.776 -0.175 0.00 0.00 +0.044 C ATOM 5 C LIG 1 3.426 0.717 -0.198 0.00 0.00 -0.050 A ATOM 6 C LIG 1 3.263 -0.144 0.896 0.00 0.00 +0.005 A ATOM 7 C LIG 1 2.256 -1.111 0.894 0.00 0.00 +0.027 A ATOM 8 C LIG 1 1.391 -1.198 -0.198 0.00 0.00 +0.088 A ATOM 9 C LIG 1 1.545 -0.352 -1.300 0.00 0.00 +0.027 A ATOM 10 C LIG 1 2.555 0.611 -1.290 0.00 0.00 +0.005 A ENDBRANCH 1 8 BRANCH 1 11 ATOM 11 C LIG 1 -1.199 -1.833 0.804 0.00 0.00 +0.184 C BRANCH 11 12 ATOM 12 C LIG 1 -1.836 -0.550 0.263 0.00 0.00 +0.097 C ATOM 13 C LIG 1 -1.284 0.679 0.962 0.00 0.00 +0.224 C ATOM 14 O LIG 1 -0.318 0.653 1.716 0.00 0.00 -0.275 OA ATOM 15 N LIG 1 -1.949 1.851 0.708 0.00 0.00 -0.256 N ATOM 16 H LIG 1 -1.573 2.660 1.187 0.00 0.00 +0.157 HD ATOM 17 C LIG 1 -3.293 1.945 0.450 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -3.908 2.985 0.665 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -3.953 0.715 -0.125 0.00 0.00 +0.097 C ATOM 20 C LIG 1 -3.354 -0.555 0.462 0.00 0.00 +0.023 C ENDBRANCH 11 12 ENDBRANCH 1 11 TORSDOF 3