REMARK Name = BDB002470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.257 -0.185 -0.619 0.00 0.00 +0.050 A ATOM 2 C LIG 1 -0.852 1.079 -0.077 0.00 0.00 +0.278 A ATOM 3 O LIG 1 -0.305 2.169 -0.221 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -2.036 0.871 0.565 0.00 0.00 -0.183 N ATOM 5 C LIG 1 -2.741 -0.294 0.470 0.00 0.00 +0.254 A ATOM 6 N LIG 1 -3.994 -0.129 1.008 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -4.010 1.134 1.317 0.00 0.00 +0.216 A ATOM 8 N LIG 1 -2.293 -1.375 -0.063 0.00 0.00 -0.215 NA ATOM 9 N LIG 1 -2.899 1.875 1.001 0.00 0.00 -0.277 N ATOM 10 H LIG 1 -2.516 2.471 1.730 0.00 0.00 +0.189 HD ATOM 11 C LIG 1 -1.002 -1.315 -0.563 0.00 0.00 +0.051 A ATOM 12 C LIG 1 -0.497 -2.658 -1.031 0.00 0.00 +0.066 C ENDROOT BRANCH 1 13 ATOM 13 C LIG 1 1.131 -0.030 -1.175 0.00 0.00 +0.163 C BRANCH 13 14 ATOM 14 C LIG 1 2.131 0.161 -0.050 0.00 0.00 +0.311 C ATOM 15 O LIG 1 1.911 -0.029 1.139 0.00 0.00 -0.250 OA BRANCH 14 17 ATOM 16 C LIG 1 4.352 0.745 0.409 0.00 0.00 +0.280 C ATOM 17 O LIG 1 3.335 0.536 -0.571 0.00 0.00 -0.468 OA ENDBRANCH 14 17 ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 3