REMARK Name = BDB034693 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.438 0.605 -0.278 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.877 0.788 0.189 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -1.903 0.807 -0.735 0.00 0.00 +0.072 A ATOM 4 N LIG 1 -3.286 0.960 -0.558 0.00 0.00 -0.292 N ATOM 5 C LIG 1 -3.913 0.949 -1.827 0.00 0.00 +0.330 A ATOM 6 N LIG 1 -2.886 0.748 -2.770 0.00 0.00 -0.295 N ATOM 7 C LIG 1 -3.065 0.644 -4.189 0.00 0.00 +0.154 C ATOM 8 O LIG 1 -5.105 1.091 -2.050 0.00 0.00 -0.246 OA ATOM 9 C LIG 1 -1.660 0.662 -2.100 0.00 0.00 +0.070 A ATOM 10 C LIG 1 -0.389 0.473 -2.594 0.00 0.00 +0.030 A ATOM 11 C LIG 1 0.661 0.440 -1.667 0.00 0.00 +0.025 A ENDROOT BRANCH 1 12 ATOM 12 N LIG 1 1.478 0.567 0.687 0.00 0.00 -0.299 N ATOM 13 H LIG 1 1.376 1.349 1.331 0.00 0.00 +0.154 HD BRANCH 12 20 ATOM 14 C LIG 1 5.209 0.437 0.610 0.00 0.00 +0.153 A ATOM 15 N LIG 1 5.504 -0.702 0.054 0.00 0.00 -0.221 NA ATOM 16 C LIG 1 4.441 -1.487 -0.291 0.00 0.00 +0.158 A ATOM 17 N LIG 1 3.105 -1.090 -0.097 0.00 0.00 -0.200 N ATOM 18 N LIG 1 2.251 -2.079 -0.497 0.00 0.00 -0.172 NA ATOM 19 C LIG 1 3.038 -3.052 -0.952 0.00 0.00 +0.137 A ATOM 20 C LIG 1 2.803 0.181 0.475 0.00 0.00 +0.129 A ATOM 21 C LIG 1 4.398 -2.742 -0.853 0.00 0.00 +0.069 A ATOM 22 C LIG 1 3.834 0.953 0.871 0.00 0.00 +0.079 A BRANCH 14 23 ATOM 23 C LIG 1 6.336 1.368 1.038 0.00 0.00 +0.358 C ATOM 24 O LIG 1 6.319 2.558 0.778 0.00 0.00 -0.243 OA BRANCH 23 25 ATOM 25 O LIG 1 7.253 0.689 1.752 0.00 0.00 -0.460 OA BRANCH 25 27 ATOM 26 C LIG 1 9.317 0.585 2.950 0.00 0.00 +0.048 C ATOM 27 C LIG 1 8.359 1.483 2.191 0.00 0.00 +0.229 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 14 23 ENDBRANCH 12 20 ENDBRANCH 1 12 BRANCH 4 28 ATOM 28 C LIG 1 -3.974 1.154 0.688 0.00 0.00 +0.128 C BRANCH 28 29 ATOM 29 C LIG 1 -4.040 -0.077 1.601 0.00 0.00 +0.036 C BRANCH 29 30 ATOM 30 C LIG 1 -4.732 -1.347 1.063 0.00 0.00 +0.096 C ATOM 31 C LIG 1 -3.842 -2.146 0.110 0.00 0.00 +0.019 C BRANCH 30 32 ATOM 32 C LIG 1 -6.105 -1.114 0.447 0.00 0.00 +0.310 C ATOM 33 O LIG 1 -6.564 -1.764 -0.484 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -6.790 -0.155 1.132 0.00 0.00 -0.468 OA ATOM 35 C LIG 1 -8.078 0.130 0.586 0.00 0.00 +0.280 C ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 10