REMARK Name = BDB049554 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.148 -2.095 -1.633 0.00 0.00 +0.161 A ATOM 2 N LIG 1 0.071 -2.573 -2.327 0.00 0.00 -0.337 N ATOM 3 H LIG 1 0.083 -3.412 -2.889 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 -0.982 -1.723 -2.117 0.00 0.00 +0.067 A ATOM 5 C LIG 1 -0.466 -0.743 -1.276 0.00 0.00 +0.090 A ATOM 6 C LIG 1 -1.299 0.305 -0.853 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -2.637 0.336 -1.289 0.00 0.00 -0.031 A ATOM 8 C LIG 1 -3.116 -0.675 -2.140 0.00 0.00 +0.007 A ATOM 9 C LIG 1 -2.300 -1.728 -2.573 0.00 0.00 +0.028 A ATOM 10 N LIG 1 0.856 -0.983 -0.983 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 3.677 -2.345 -0.924 0.00 0.00 +0.083 A ATOM 12 C LIG 1 2.536 -2.802 -1.629 0.00 0.00 +0.149 A ATOM 13 N LIG 1 2.770 -3.931 -2.313 0.00 0.00 -0.169 NA ATOM 14 N LIG 1 4.065 -4.189 -2.039 0.00 0.00 -0.282 N ATOM 15 H LIG 1 4.491 -5.014 -2.448 0.00 0.00 +0.188 HD ATOM 16 C LIG 1 4.648 -3.269 -1.218 0.00 0.00 +0.129 A BRANCH 11 21 ATOM 17 O LIG 1 5.927 -1.380 0.649 0.00 0.00 -0.252 OA ATOM 18 C LIG 1 4.850 -0.797 0.580 0.00 0.00 +0.304 C ATOM 19 N LIG 1 4.594 0.390 1.248 0.00 0.00 -0.296 N ATOM 20 H LIG 1 3.790 0.922 0.947 0.00 0.00 +0.151 HD ATOM 21 N LIG 1 3.749 -1.213 -0.134 0.00 0.00 -0.266 N ATOM 22 H LIG 1 2.877 -0.699 -0.049 0.00 0.00 +0.156 HD BRANCH 19 23 ATOM 23 C LIG 1 5.598 1.062 2.011 0.00 0.00 +0.075 C ATOM 24 C LIG 1 6.280 2.286 1.466 0.00 0.00 +0.024 C ATOM 25 C LIG 1 5.324 2.412 2.616 0.00 0.00 +0.024 C ENDBRANCH 19 23 ENDBRANCH 11 21 ENDBRANCH 1 12 BRANCH 7 26 ATOM 26 C LIG 1 -3.554 1.459 -0.848 0.00 0.00 +0.119 C BRANCH 26 27 ATOM 27 N LIG 1 -4.717 0.990 -0.080 0.00 0.00 -0.294 NA ATOM 28 C LIG 1 -5.689 2.078 0.161 0.00 0.00 +0.113 C ATOM 29 C LIG 1 -5.578 2.700 1.561 0.00 0.00 +0.175 C ATOM 30 O LIG 1 -5.783 1.753 2.617 0.00 0.00 -0.377 OA ATOM 31 C LIG 1 -5.433 0.412 2.246 0.00 0.00 +0.175 C ATOM 32 C LIG 1 -4.309 0.364 1.200 0.00 0.00 +0.113 C ENDBRANCH 26 27 ENDBRANCH 7 26 TORSDOF 5