REMARK Name = LIG001032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.647 -0.252 0.056 0.00 0.00 -0.300 N ATOM 2 H LIG 1 -0.191 0.618 0.302 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 0.054 -1.224 -0.612 0.00 0.00 +0.247 C ATOM 4 O LIG 1 -0.470 -2.270 -0.984 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 1.449 -0.901 -0.892 0.00 0.00 +0.062 A ATOM 6 C LIG 1 2.391 -0.091 -0.165 0.00 0.00 +0.014 A ATOM 7 C LIG 1 3.590 -0.098 -0.887 0.00 0.00 +0.047 A ATOM 8 C LIG 1 4.736 0.601 -0.481 0.00 0.00 +0.029 A ATOM 9 C LIG 1 4.665 1.322 0.711 0.00 0.00 +0.040 A ATOM 10 C LIG 1 3.498 1.327 1.459 0.00 0.00 +0.124 A ATOM 11 F LIG 1 3.462 2.014 2.609 0.00 0.00 -0.205 F ATOM 12 N LIG 1 3.399 -0.900 -1.988 0.00 0.00 -0.360 N ATOM 13 H LIG 1 4.107 -1.101 -2.682 0.00 0.00 +0.165 HD ATOM 14 C LIG 1 2.359 0.632 1.049 0.00 0.00 +0.049 A ATOM 15 C LIG 1 2.130 -1.402 -1.989 0.00 0.00 +0.096 A ENDBRANCH 3 5 BRANCH 1 22 ATOM 16 O LIG 1 -5.835 0.965 1.159 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 -4.723 0.473 0.987 0.00 0.00 +0.219 C ATOM 18 N LIG 1 -3.687 0.758 1.840 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -3.897 1.461 2.536 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -2.353 0.596 1.557 0.00 0.00 +0.240 C ATOM 21 O LIG 1 -1.495 1.258 2.139 0.00 0.00 -0.273 OA ATOM 22 C LIG 1 -2.021 -0.445 0.484 0.00 0.00 +0.160 C ATOM 23 C LIG 1 -3.011 -0.301 -0.666 0.00 0.00 +0.041 C ATOM 24 C LIG 1 -4.426 -0.486 -0.141 0.00 0.00 +0.098 C ENDBRANCH 1 22 TORSDOF 2