REMARK Name = BDB016366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.056 -1.785 0.022 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -2.163 -1.262 1.144 0.00 0.00 +0.076 C ATOM 3 N LIG 1 -0.977 -0.593 0.641 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -0.316 -1.255 0.234 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -0.996 0.615 -0.071 0.00 0.00 +0.057 A ATOM 6 C LIG 1 -2.043 1.566 -0.045 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -1.940 2.739 -0.823 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.809 3.023 -1.579 0.00 0.00 +0.003 A ATOM 9 C LIG 1 0.253 2.136 -1.565 0.00 0.00 +0.010 A ATOM 10 N LIG 1 -3.252 1.490 0.676 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -3.938 2.211 0.488 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -3.707 0.648 1.633 0.00 0.00 +0.219 C ATOM 13 O LIG 1 -4.846 0.830 2.075 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 0.187 0.946 -0.817 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -2.843 -0.427 2.200 0.00 0.00 +0.118 C ENDROOT BRANCH 14 16 ATOM 16 C LIG 1 1.374 0.067 -0.843 0.00 0.00 -0.016 A ATOM 17 C LIG 1 2.236 -0.003 0.264 0.00 0.00 +0.013 A ATOM 18 C LIG 1 3.366 -0.836 0.255 0.00 0.00 -0.033 A ATOM 19 C LIG 1 3.638 -1.598 -0.890 0.00 0.00 +0.004 A ATOM 20 C LIG 1 2.791 -1.537 -1.996 0.00 0.00 +0.001 A ATOM 21 C LIG 1 1.667 -0.711 -1.973 0.00 0.00 +0.008 A BRANCH 18 22 ATOM 22 C LIG 1 4.291 -0.883 1.448 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 5.417 0.054 1.329 0.00 0.00 +0.067 C ATOM 24 N LIG 1 6.318 0.783 1.254 0.00 0.00 -0.196 NA ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 14 16 TORSDOF 3