REMARK Name = BDB050172 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.117 1.595 0.518 0.00 0.00 +0.193 A ATOM 2 N LIG 1 2.361 0.505 0.179 0.00 0.00 -0.316 N ATOM 3 C LIG 1 1.062 0.488 -0.471 0.00 0.00 +0.128 C ATOM 4 C LIG 1 0.703 -0.912 -1.000 0.00 0.00 +0.014 C ATOM 5 C LIG 1 0.968 -1.966 0.092 0.00 0.00 +0.012 C ATOM 6 C LIG 1 2.451 -1.986 0.478 0.00 0.00 +0.055 C ATOM 7 C LIG 1 2.990 -0.616 0.668 0.00 0.00 +0.040 A ATOM 8 C LIG 1 4.124 -0.132 1.282 0.00 0.00 +0.135 A ATOM 9 N LIG 1 4.189 1.235 1.180 0.00 0.00 -0.223 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 2.772 2.854 0.201 0.00 0.00 -0.329 N ATOM 11 H LIG 1 2.305 3.024 -0.681 0.00 0.00 +0.145 HD ATOM 12 H LIG 1 3.520 3.524 0.362 0.00 0.00 +0.145 HD ENDBRANCH 1 10 BRANCH 4 13 ATOM 13 C LIG 1 -0.717 -0.984 -1.593 0.00 0.00 +0.044 C BRANCH 13 14 ATOM 14 C LIG 1 -1.854 -0.716 -0.646 0.00 0.00 -0.002 A ATOM 15 C LIG 1 -2.369 0.557 -0.455 0.00 0.00 +0.169 A ATOM 16 O LIG 1 -1.934 1.695 -1.067 0.00 0.00 -0.452 OA ATOM 17 C LIG 1 -2.817 2.676 -0.484 0.00 0.00 +0.466 C ATOM 18 O LIG 1 -3.757 2.117 0.453 0.00 0.00 -0.453 OA ATOM 19 C LIG 1 -3.409 0.803 0.413 0.00 0.00 +0.167 A ATOM 20 C LIG 1 -4.003 -0.203 1.143 0.00 0.00 +0.049 A ATOM 21 C LIG 1 -3.514 -1.499 0.975 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -2.452 -1.754 0.088 0.00 0.00 +0.007 A ENDBRANCH 13 14 ENDBRANCH 4 13 TORSDOF 3