REMARK Name = LIG001918 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.153 -1.360 -0.741 0.00 0.00 +0.111 C ATOM 2 N LIG 1 -1.012 -0.606 0.228 0.00 0.00 -0.276 N ATOM 3 C LIG 1 -1.632 -1.203 1.317 0.00 0.00 +0.217 C ATOM 4 O LIG 1 -2.452 -0.596 2.007 0.00 0.00 -0.276 OA ATOM 5 C LIG 1 -1.198 -2.589 1.734 0.00 0.00 +0.096 C ATOM 6 C LIG 1 -0.677 -3.439 0.598 0.00 0.00 +0.012 C ATOM 7 C LIG 1 0.405 -2.665 -0.127 0.00 0.00 +0.035 C ATOM 8 C LIG 1 -0.969 -1.696 -2.005 0.00 0.00 +0.042 C ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -1.464 0.758 -0.151 0.00 0.00 +0.164 C ATOM 10 C LIG 1 -1.125 1.760 0.963 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.051 1.729 1.567 0.00 0.00 -0.273 OA ATOM 12 N LIG 1 -2.057 2.725 1.229 0.00 0.00 -0.255 N ATOM 13 H LIG 1 -1.790 3.397 1.937 0.00 0.00 +0.158 HD ATOM 14 C LIG 1 -3.411 2.568 1.117 0.00 0.00 +0.219 C ATOM 15 O LIG 1 -4.176 3.338 1.695 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -3.913 1.384 0.331 0.00 0.00 +0.098 C ATOM 17 C LIG 1 -2.901 0.861 -0.673 0.00 0.00 +0.041 C ENDBRANCH 2 9 BRANCH 1 20 ATOM 18 N LIG 1 1.754 0.082 -0.083 0.00 0.00 -0.309 N ATOM 19 H LIG 1 1.176 0.258 0.739 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 1.109 -0.528 -1.145 0.00 0.00 +0.237 C ATOM 21 O LIG 1 1.545 -0.526 -2.294 0.00 0.00 -0.273 OA BRANCH 18 23 ATOM 22 C LIG 1 4.120 0.137 -0.847 0.00 0.00 +0.031 C ATOM 23 C LIG 1 2.961 0.916 -0.203 0.00 0.00 +0.026 C ATOM 24 C LIG 1 2.661 2.184 -1.016 0.00 0.00 +0.031 C ATOM 25 C LIG 1 3.402 1.328 1.214 0.00 0.00 +0.031 C ENDBRANCH 18 23 ENDBRANCH 1 20 TORSDOF 3