REMARK Name = BDB057683 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.029 -0.336 0.415 0.00 0.00 +0.128 A ATOM 2 C LIG 1 -2.777 -0.924 0.639 0.00 0.00 +0.064 A ATOM 3 C LIG 1 -1.587 -0.273 0.235 0.00 0.00 +0.115 A ATOM 4 N LIG 1 -0.321 -0.876 0.466 0.00 0.00 -0.126 N ATOM 5 C LIG 1 0.888 -0.154 0.025 0.00 0.00 +0.138 A ATOM 6 C LIG 1 0.778 1.063 -0.589 0.00 0.00 +0.181 A ATOM 7 N LIG 1 -0.523 1.690 -0.829 0.00 0.00 -0.112 N ATOM 8 O LIG 1 -0.561 2.815 -1.400 0.00 0.00 -0.162 OA ATOM 9 N LIG 1 2.022 1.518 -0.896 0.00 0.00 -0.337 N ATOM 10 H LIG 1 2.225 2.397 -1.356 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 2.954 0.585 -0.477 0.00 0.00 +0.050 A ATOM 12 C LIG 1 4.350 0.607 -0.572 0.00 0.00 +0.026 A ATOM 13 C LIG 1 5.053 -0.486 -0.058 0.00 0.00 +0.002 A ATOM 14 C LIG 1 4.388 -1.560 0.530 0.00 0.00 +0.001 A ATOM 15 C LIG 1 2.991 -1.572 0.620 0.00 0.00 +0.012 A ATOM 16 C LIG 1 2.257 -0.485 0.111 0.00 0.00 +0.029 A ATOM 17 O LIG 1 -0.230 -2.006 1.036 0.00 0.00 -0.163 OA ATOM 18 C LIG 1 -1.685 1.005 -0.410 0.00 0.00 +0.114 A ATOM 19 C LIG 1 -2.964 1.569 -0.620 0.00 0.00 +0.034 A ATOM 20 C LIG 1 -4.126 0.909 -0.214 0.00 0.00 +0.035 A ENDROOT BRANCH 1 22 ATOM 21 O LIG 1 -5.124 -2.131 1.396 0.00 0.00 -0.126 OA ATOM 22 N LIG 1 -5.252 -1.032 0.843 0.00 0.00 +0.056 N ATOM 23 O LIG 1 -6.335 -0.473 0.624 0.00 0.00 -0.126 OA ENDBRANCH 1 22 TORSDOF 1