REMARK Name = BDB005024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.441 1.674 2.146 0.00 0.00 +0.035 A ATOM 2 C LIG 1 0.575 2.124 1.142 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.364 3.145 1.375 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -0.436 3.728 2.646 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.425 3.308 3.654 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.355 2.297 3.402 0.00 0.00 +0.023 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 2.426 0.687 1.964 0.00 0.00 -0.269 N ATOM 8 H LIG 1 2.774 0.287 2.826 0.00 0.00 +0.157 HD BRANCH 7 11 ATOM 9 C LIG 1 3.871 -1.198 -0.540 0.00 0.00 +0.187 A ATOM 10 N LIG 1 3.662 -0.975 0.811 0.00 0.00 -0.189 NA ATOM 11 C LIG 1 2.874 0.078 0.854 0.00 0.00 +0.292 A ATOM 12 O LIG 1 2.562 0.582 -0.379 0.00 0.00 -0.432 OA ATOM 13 C LIG 1 3.196 -0.239 -1.257 0.00 0.00 +0.234 A BRANCH 9 14 ATOM 14 C LIG 1 4.675 -2.268 -1.107 0.00 0.00 +0.361 C ATOM 15 O LIG 1 4.823 -2.424 -2.314 0.00 0.00 -0.243 OA BRANCH 14 16 ATOM 16 O LIG 1 5.236 -3.062 -0.149 0.00 0.00 -0.460 OA BRANCH 16 18 ATOM 17 C LIG 1 7.468 -3.680 -0.852 0.00 0.00 +0.048 C ATOM 18 C LIG 1 6.043 -4.147 -0.624 0.00 0.00 +0.229 C ENDBRANCH 16 18 ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 3 19 ATOM 19 C LIG 1 -1.314 3.575 0.278 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 N LIG 1 -2.578 2.850 0.377 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -2.780 2.625 1.347 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.712 1.676 -0.394 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -3.895 0.911 -0.288 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -3.964 -0.259 -1.071 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -5.130 -1.048 -0.965 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -6.194 -0.674 -0.121 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -6.124 0.487 0.630 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -2.942 -0.594 -1.890 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -1.886 0.224 -1.940 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -4.984 1.274 0.545 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -1.726 1.343 -1.238 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -5.333 -2.320 -1.728 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -6.369 -2.970 -1.630 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -4.334 -2.755 -2.547 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -4.471 -3.599 -3.083 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -3.482 -2.213 -2.662 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 9