REMARK Name = BDB059743 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.446 0.837 -0.622 0.00 0.00 +0.142 A ATOM 2 N LIG 1 -2.290 -0.153 -0.154 0.00 0.00 -0.321 N ATOM 3 C LIG 1 -1.883 -1.400 0.463 0.00 0.00 +0.142 C ATOM 4 C LIG 1 -2.825 -1.851 1.572 0.00 0.00 +0.126 C ATOM 5 N LIG 1 -4.082 -2.369 1.071 0.00 0.00 -0.310 N ATOM 6 H LIG 1 -4.423 -3.245 1.454 0.00 0.00 +0.149 HD ATOM 7 C LIG 1 -5.080 -1.663 0.449 0.00 0.00 +0.248 C ATOM 8 C LIG 1 -4.839 -0.309 -0.074 0.00 0.00 +0.080 A ATOM 9 C LIG 1 -5.927 0.498 -0.407 0.00 0.00 +0.126 A ATOM 10 N LIG 1 -5.847 1.760 -0.903 0.00 0.00 -0.260 NA ATOM 11 C LIG 1 -4.618 2.294 -1.119 0.00 0.00 +0.140 A ATOM 12 C LIG 1 -3.466 1.554 -0.835 0.00 0.00 +0.108 A ATOM 13 O LIG 1 -6.189 -2.177 0.335 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -3.589 0.267 -0.316 0.00 0.00 +0.084 A ATOM 15 N LIG 1 -2.146 1.893 -0.987 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 19 ATOM 16 C LIG 1 2.830 0.618 -0.747 0.00 0.00 -0.033 A ATOM 17 C LIG 1 2.055 -0.351 -1.398 0.00 0.00 +0.005 A ATOM 18 C LIG 1 0.659 -0.283 -1.364 0.00 0.00 +0.012 A ATOM 19 C LIG 1 0.014 0.751 -0.674 0.00 0.00 +0.017 A ATOM 20 C LIG 1 0.786 1.732 -0.044 0.00 0.00 +0.012 A ATOM 21 C LIG 1 2.181 1.663 -0.073 0.00 0.00 +0.005 A BRANCH 16 22 ATOM 22 C LIG 1 4.343 0.561 -0.793 0.00 0.00 +0.119 C BRANCH 22 24 ATOM 23 C LIG 1 6.405 0.692 0.440 0.00 0.00 +0.104 C ATOM 24 N LIG 1 4.963 0.461 0.540 0.00 0.00 -0.304 NA ATOM 25 C LIG 1 4.710 -0.845 1.153 0.00 0.00 +0.104 C ENDBRANCH 22 24 ENDBRANCH 16 22 ENDBRANCH 1 19 TORSDOF 3