REMARK Name = LIG001487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.582 -0.791 -2.056 0.00 0.00 +0.042 C ATOM 2 C LIG 1 -0.827 -0.962 -0.548 0.00 0.00 +0.112 C ATOM 3 N LIG 1 -2.249 -0.714 -0.262 0.00 0.00 -0.276 N ATOM 4 C LIG 1 -2.977 -1.887 -0.111 0.00 0.00 +0.217 C ATOM 5 O LIG 1 -4.166 -1.986 0.139 0.00 0.00 -0.276 OA ATOM 6 C LIG 1 -2.055 -3.047 -0.358 0.00 0.00 +0.098 C ATOM 7 C LIG 1 -0.681 -2.436 -0.131 0.00 0.00 +0.044 C ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -2.804 0.611 0.028 0.00 0.00 +0.164 C ATOM 9 C LIG 1 -3.004 0.801 1.543 0.00 0.00 +0.240 C ATOM 10 O LIG 1 -2.498 0.086 2.407 0.00 0.00 -0.273 OA ATOM 11 N LIG 1 -3.791 1.874 1.901 0.00 0.00 -0.255 N ATOM 12 H LIG 1 -3.921 2.000 2.895 0.00 0.00 +0.158 HD ATOM 13 C LIG 1 -4.650 2.578 1.095 0.00 0.00 +0.219 C ATOM 14 O LIG 1 -5.441 3.389 1.568 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 -4.533 2.343 -0.394 0.00 0.00 +0.098 C ATOM 16 C LIG 1 -4.116 0.911 -0.698 0.00 0.00 +0.041 C ENDBRANCH 3 8 BRANCH 2 17 ATOM 17 C LIG 1 0.220 -0.085 0.217 0.00 0.00 +0.237 C ATOM 18 N LIG 1 1.517 -0.573 0.198 0.00 0.00 -0.311 N ATOM 19 H LIG 1 1.740 -1.354 -0.405 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 -0.048 1.006 0.718 0.00 0.00 -0.273 OA BRANCH 18 21 ATOM 21 C LIG 1 2.633 0.190 0.750 0.00 0.00 +0.073 C ATOM 22 C LIG 1 3.742 -0.773 1.209 0.00 0.00 +0.022 C ATOM 23 C LIG 1 5.113 -0.112 1.179 0.00 0.00 +0.002 C ATOM 24 C LIG 1 5.494 0.333 -0.234 0.00 0.00 +0.000 C ATOM 25 C LIG 1 4.290 0.714 -1.099 0.00 0.00 +0.002 C ATOM 26 C LIG 1 3.133 1.241 -0.258 0.00 0.00 +0.022 C ENDBRANCH 18 21 ENDBRANCH 2 17 TORSDOF 3