REMARK Name = BDB051860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.230 1.162 2.126 0.00 0.00 +0.049 A ATOM 2 C LIG 1 1.169 0.399 1.651 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.013 0.723 0.792 0.00 0.00 +0.248 C ATOM 4 N LIG 1 -0.772 -0.413 0.699 0.00 0.00 -0.292 N ATOM 5 C LIG 1 -0.157 -1.563 1.319 0.00 0.00 +0.144 C ATOM 6 O LIG 1 -0.201 1.786 0.239 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 1.055 -0.970 1.958 0.00 0.00 -0.017 A ATOM 8 C LIG 1 1.995 -1.621 2.741 0.00 0.00 +0.006 A ATOM 9 C LIG 1 3.067 -0.880 3.226 0.00 0.00 +0.001 A ATOM 10 C LIG 1 3.181 0.488 2.922 0.00 0.00 +0.014 A ENDROOT BRANCH 1 14 ATOM 11 N LIG 1 1.554 3.378 1.262 0.00 0.00 -0.325 N ATOM 12 H LIG 1 0.746 2.997 0.773 0.00 0.00 +0.145 HD ATOM 13 H LIG 1 1.800 4.337 1.060 0.00 0.00 +0.145 HD ATOM 14 C LIG 1 2.479 2.615 1.901 0.00 0.00 +0.242 C ATOM 15 O LIG 1 3.514 3.141 2.301 0.00 0.00 -0.270 OA ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 -1.926 -0.534 -0.181 0.00 0.00 +0.127 C BRANCH 16 17 ATOM 17 C LIG 1 -1.564 -1.016 -1.601 0.00 0.00 +0.071 C ATOM 18 N LIG 1 -0.601 -0.154 -2.317 0.00 0.00 -0.312 NA ATOM 19 H LIG 1 -0.350 0.657 -1.742 0.00 0.00 +0.122 HD ATOM 20 C LIG 1 -1.236 0.303 -3.554 0.00 0.00 +0.081 C ATOM 21 C LIG 1 -2.254 -0.770 -3.875 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.793 -1.119 -2.503 0.00 0.00 +0.021 C ENDBRANCH 16 17 ENDBRANCH 4 16 TORSDOF 3