REMARK Name = BDB016126 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.504 -1.491 -2.274 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -2.724 -0.809 -0.921 0.00 0.00 +0.076 C ATOM 3 N LIG 1 -1.425 -0.481 -0.366 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -0.719 -0.190 -1.039 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -1.253 0.131 0.882 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -2.294 0.600 1.717 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -1.994 1.041 3.023 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.689 1.070 3.505 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.348 0.647 2.688 0.00 0.00 +0.010 A ATOM 10 N LIG 1 -3.658 0.726 1.379 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -4.293 0.988 2.124 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -4.304 0.689 0.185 0.00 0.00 +0.219 C ATOM 13 O LIG 1 -5.519 0.905 0.164 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 0.081 0.178 1.393 0.00 0.00 -0.002 A ATOM 15 C LIG 1 -3.548 0.448 -1.083 0.00 0.00 +0.118 C ENDROOT BRANCH 14 16 ATOM 16 C LIG 1 1.216 -0.338 0.601 0.00 0.00 +0.010 C ATOM 17 C LIG 1 2.262 0.430 0.255 0.00 0.00 +0.010 C BRANCH 17 18 ATOM 18 C LIG 1 3.408 -0.031 -0.540 0.00 0.00 -0.007 A ATOM 19 C LIG 1 3.340 -1.058 -1.480 0.00 0.00 +0.118 A ATOM 20 N LIG 1 4.380 -1.475 -2.244 0.00 0.00 -0.263 NA ATOM 21 C LIG 1 5.553 -0.831 -2.071 0.00 0.00 +0.111 A ATOM 22 C LIG 1 5.730 0.210 -1.176 0.00 0.00 +0.020 A ATOM 23 C LIG 1 4.641 0.616 -0.407 0.00 0.00 +0.011 A ENDBRANCH 17 18 ENDBRANCH 14 16 TORSDOF 2