REMARK Name = BDB056509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.470 -1.710 0.502 0.00 0.00 +0.083 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.770 -1.061 0.107 0.00 0.00 +0.111 A ATOM 3 N LIG 1 2.204 -1.312 -1.167 0.00 0.00 -0.310 N ATOM 4 H LIG 1 1.696 -1.934 -1.780 0.00 0.00 +0.170 HD ATOM 5 C LIG 1 3.356 -0.780 -1.687 0.00 0.00 +0.259 A ATOM 6 O LIG 1 3.726 -1.021 -2.829 0.00 0.00 -0.267 OA ATOM 7 C LIG 1 4.114 0.101 -0.782 0.00 0.00 +0.065 A ATOM 8 C LIG 1 3.592 0.308 0.498 0.00 0.00 +0.078 A ATOM 9 C LIG 1 4.292 1.138 1.376 0.00 0.00 +0.028 A ATOM 10 C LIG 1 5.487 1.747 0.980 0.00 0.00 +0.002 A ATOM 11 C LIG 1 5.994 1.531 -0.303 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.307 0.704 -1.191 0.00 0.00 +0.015 A ATOM 13 N LIG 1 2.394 -0.285 0.932 0.00 0.00 -0.234 NA ENDBRANCH 1 2 BRANCH 1 14 ATOM 14 C LIG 1 -0.667 -0.705 0.344 0.00 0.00 +0.103 C BRANCH 14 22 ATOM 15 O LIG 1 -6.801 -0.692 0.962 0.00 0.00 -0.274 OA ATOM 16 C LIG 1 -5.670 -0.250 0.766 0.00 0.00 +0.230 C ATOM 17 N LIG 1 -5.485 1.104 0.640 0.00 0.00 -0.313 N ATOM 18 H LIG 1 -6.305 1.651 0.872 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -4.173 1.701 0.738 0.00 0.00 +0.123 C ATOM 20 C LIG 1 -3.112 0.869 0.022 0.00 0.00 +0.127 C ATOM 21 N LIG 1 -3.133 -0.514 0.501 0.00 0.00 -0.291 N ATOM 22 C LIG 1 -2.026 -1.352 0.530 0.00 0.00 +0.216 C ATOM 23 O LIG 1 -2.135 -2.567 0.697 0.00 0.00 -0.276 OA ATOM 24 C LIG 1 -4.452 -1.161 0.546 0.00 0.00 +0.203 C ENDBRANCH 14 22 ENDBRANCH 1 14 TORSDOF 3