REMARK Name = BDB046976 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.017 0.993 -0.302 0.00 0.00 +0.050 A ATOM 2 N LIG 1 -1.041 0.093 -0.062 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.876 -1.165 0.651 0.00 0.00 +0.141 C ATOM 4 C LIG 1 -2.064 -1.505 1.534 0.00 0.00 +0.126 C ATOM 5 N LIG 1 -3.181 -2.010 0.771 0.00 0.00 -0.310 N ATOM 6 H LIG 1 -3.618 -2.877 1.064 0.00 0.00 +0.149 HD ATOM 7 C LIG 1 -3.935 -1.328 -0.143 0.00 0.00 +0.246 C ATOM 8 C LIG 1 -3.544 0.022 -0.619 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -4.555 0.807 -1.212 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -4.299 2.080 -1.709 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -3.013 2.609 -1.641 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -1.974 1.848 -1.069 0.00 0.00 +0.001 A ATOM 13 O LIG 1 -4.968 -1.855 -0.554 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -2.243 0.571 -0.558 0.00 0.00 +0.062 A ATOM 15 C LIG 1 -0.591 2.101 -0.889 0.00 0.00 +0.036 A ENDROOT BRANCH 1 19 ATOM 16 C LIG 1 4.092 0.361 0.683 0.00 0.00 +0.120 A ATOM 17 C LIG 1 3.480 -0.414 -0.303 0.00 0.00 +0.046 A ATOM 18 C LIG 1 2.134 -0.205 -0.626 0.00 0.00 +0.013 A ATOM 19 C LIG 1 1.387 0.776 0.036 0.00 0.00 -0.001 A ATOM 20 C LIG 1 2.004 1.557 1.015 0.00 0.00 +0.013 A ATOM 21 C LIG 1 3.347 1.345 1.338 0.00 0.00 +0.046 A BRANCH 16 23 ATOM 22 C LIG 1 6.205 -0.699 0.430 0.00 0.00 +0.277 C ATOM 23 O LIG 1 5.392 0.260 1.095 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 1 19 TORSDOF 2