REMARK Name = LIG001354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.312 -0.468 0.029 0.00 0.00 +0.141 A ATOM 2 C LIG 1 2.029 -0.881 -0.404 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.951 -0.152 0.072 0.00 0.00 +0.074 A ATOM 4 C LIG 1 -0.484 -0.292 -0.183 0.00 0.00 +0.256 C ATOM 5 N LIG 1 -1.115 0.693 0.525 0.00 0.00 -0.222 N ATOM 6 C LIG 1 -0.223 1.425 1.260 0.00 0.00 +0.255 C ATOM 7 O LIG 1 -0.430 2.360 2.009 0.00 0.00 -0.270 OA ATOM 8 O LIG 1 -0.986 -1.175 -0.855 0.00 0.00 -0.269 OA ATOM 9 C LIG 1 1.103 0.888 0.969 0.00 0.00 +0.051 A ATOM 10 C LIG 1 2.340 1.282 1.437 0.00 0.00 +0.017 A ATOM 11 C LIG 1 3.457 0.590 0.956 0.00 0.00 +0.048 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -2.556 0.885 0.599 0.00 0.00 +0.171 C ATOM 13 C LIG 1 -3.193 -0.353 1.231 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -2.799 -0.836 2.292 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -4.222 -0.940 0.539 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -4.623 -1.757 0.981 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -4.439 -0.873 -0.812 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -5.188 -1.675 -1.365 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -3.675 0.173 -1.584 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -3.220 1.324 -0.705 0.00 0.00 +0.041 C ENDBRANCH 5 12 BRANCH 2 21 ATOM 21 N LIG 1 1.890 -1.822 -1.436 0.00 0.00 -0.355 N ATOM 22 H LIG 1 2.677 -2.467 -1.481 0.00 0.00 +0.142 HD ATOM 23 H LIG 1 0.978 -2.277 -1.470 0.00 0.00 +0.142 HD ENDBRANCH 2 21 BRANCH 1 25 ATOM 24 C LIG 1 5.674 -0.725 -0.221 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.359 -1.189 -0.498 0.00 0.00 -0.493 OA ENDBRANCH 1 25 TORSDOF 3