REMARK Name = BDB005604 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 2.710 3.074 -0.477 0.00 0.00 -0.268 OA ATOM 2 C LIG 1 2.177 1.976 -0.346 0.00 0.00 +0.254 A ATOM 3 C LIG 1 2.926 0.793 0.155 0.00 0.00 +0.038 A ATOM 4 C LIG 1 4.379 1.004 0.491 0.00 0.00 +0.044 C ATOM 5 C LIG 1 4.970 -0.154 1.303 0.00 0.00 +0.023 C ATOM 6 C LIG 1 4.519 -1.495 0.737 0.00 0.00 +0.102 C ATOM 7 N LIG 1 3.062 -1.533 0.680 0.00 0.00 -0.343 N ATOM 8 H LIG 1 2.703 -2.402 0.296 0.00 0.00 +0.146 HD ATOM 9 C LIG 1 2.336 -0.413 0.278 0.00 0.00 +0.045 A ATOM 10 C LIG 1 0.892 -0.551 -0.032 0.00 0.00 +0.020 A ATOM 11 C LIG 1 0.200 0.563 -0.527 0.00 0.00 +0.051 A ATOM 12 C LIG 1 -1.157 0.492 -0.857 0.00 0.00 +0.031 A ATOM 13 C LIG 1 -1.867 -0.703 -0.677 0.00 0.00 -0.026 A ATOM 14 C LIG 1 -1.192 -1.813 -0.156 0.00 0.00 +0.006 A ATOM 15 C LIG 1 0.169 -1.736 0.167 0.00 0.00 +0.012 A ATOM 16 N LIG 1 0.867 1.782 -0.679 0.00 0.00 -0.322 N ATOM 17 H LIG 1 0.375 2.600 -1.011 0.00 0.00 +0.169 HD ENDROOT BRANCH 13 18 ATOM 18 C LIG 1 -3.332 -0.791 -1.029 0.00 0.00 +0.156 C BRANCH 18 19 ATOM 19 N LIG 1 -4.157 0.001 -0.125 0.00 0.00 -0.349 N ATOM 20 C LIG 1 -4.486 -0.348 1.161 0.00 0.00 +0.086 A ATOM 21 C LIG 1 -5.302 0.637 1.673 0.00 0.00 +0.019 A ATOM 22 C LIG 1 -5.483 1.606 0.657 0.00 0.00 +0.019 A ATOM 23 C LIG 1 -4.772 1.185 -0.445 0.00 0.00 +0.086 A ENDBRANCH 18 19 ENDBRANCH 13 18 TORSDOF 2