REMARK Name = BDB063485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.689 -0.146 -0.678 0.00 0.00 +0.254 A ATOM 2 O LIG 1 -0.229 -0.767 -1.822 0.00 0.00 -0.333 OA ATOM 3 N LIG 1 1.153 -0.862 -1.729 0.00 0.00 -0.056 NA ATOM 4 C LIG 1 1.432 -0.298 -0.548 0.00 0.00 +0.204 A ATOM 5 N LIG 1 0.320 0.153 0.124 0.00 0.00 -0.187 NA ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 2.772 -0.163 -0.005 0.00 0.00 +0.041 A ATOM 7 C LIG 1 3.889 -0.623 -0.696 0.00 0.00 +0.122 A ATOM 8 N LIG 1 5.165 -0.525 -0.241 0.00 0.00 -0.263 NA ATOM 9 C LIG 1 5.336 0.060 0.963 0.00 0.00 +0.111 A ATOM 10 C LIG 1 4.295 0.552 1.732 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.996 0.437 1.238 0.00 0.00 +0.014 A ENDBRANCH 4 6 BRANCH 1 16 ATOM 12 C LIG 1 -2.510 0.722 0.649 0.00 0.00 -0.018 C ATOM 13 C LIG 1 -3.992 0.891 0.656 0.00 0.00 +0.028 C ATOM 14 C LIG 1 -4.440 -0.040 -0.466 0.00 0.00 +0.009 C ATOM 15 C LIG 1 -3.221 -0.228 -1.367 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -2.072 0.105 -0.460 0.00 0.00 +0.013 C ENDBRANCH 1 16 TORSDOF 2