REMARK Name = LIG001182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.312 -1.618 0.743 0.00 0.00 -0.446 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.011 -1.372 0.633 0.00 0.00 +0.401 C ATOM 3 N LIG 1 1.512 -1.064 1.861 0.00 0.00 -0.269 N ATOM 4 H LIG 1 0.813 -0.861 2.568 0.00 0.00 +0.153 HD ATOM 5 O LIG 1 1.671 -1.404 -0.394 0.00 0.00 -0.226 OA BRANCH 3 6 ATOM 6 C LIG 1 2.837 -0.504 2.010 0.00 0.00 +0.171 C ATOM 7 C LIG 1 3.112 -0.143 3.456 0.00 0.00 +0.240 C ATOM 8 O LIG 1 2.308 0.326 4.247 0.00 0.00 -0.273 OA ATOM 9 N LIG 1 4.407 -0.441 3.727 0.00 0.00 -0.255 N ATOM 10 H LIG 1 4.831 -0.300 4.630 0.00 0.00 +0.158 HD ATOM 11 C LIG 1 4.959 -1.243 2.783 0.00 0.00 +0.221 C ATOM 12 O LIG 1 6.064 -1.754 2.863 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 3.977 -1.457 1.667 0.00 0.00 +0.128 C ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 14 ATOM 14 C LIG 1 -0.988 -1.919 -0.483 0.00 0.00 +0.269 C BRANCH 14 18 ATOM 15 C LIG 1 -2.783 1.707 -2.015 0.00 0.00 -0.034 A ATOM 16 C LIG 1 -3.416 0.971 -1.005 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -2.838 -0.201 -0.511 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -1.623 -0.667 -1.030 0.00 0.00 -0.010 A ATOM 19 C LIG 1 -0.988 0.070 -2.037 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -1.566 1.242 -2.530 0.00 0.00 +0.005 A BRANCH 15 21 ATOM 21 C LIG 1 -3.418 2.958 -2.565 0.00 0.00 +0.113 C BRANCH 21 22 ATOM 22 N LIG 1 -4.295 2.655 -3.690 0.00 0.00 -0.326 NA ATOM 23 H LIG 1 -4.995 1.982 -3.382 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 -3.751 2.171 -4.403 0.00 0.00 +0.119 HD ENDBRANCH 21 22 ENDBRANCH 15 21 ENDBRANCH 14 18 ENDBRANCH 1 14 TORSDOF 6