REMARK Name = BDB025100 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.363 -1.756 1.356 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.472 -1.796 0.268 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.532 -2.921 -0.698 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.809 -2.854 -1.555 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.341 -3.012 -1.665 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.050 -2.672 -0.958 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.176 -1.268 -0.444 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.104 -0.354 -0.513 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.146 -0.533 -1.041 0.00 0.00 -0.230 NA ATOM 10 C LIG 1 0.809 0.593 -0.838 0.00 0.00 +0.128 A ATOM 11 N LIG 1 -0.018 1.537 -0.252 0.00 0.00 -0.323 N ATOM 12 C LIG 1 -1.237 0.928 -0.001 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -2.420 1.360 0.603 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.478 0.444 0.677 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.381 -0.860 0.171 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.396 -0.908 2.240 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.268 2.939 0.046 0.00 0.00 +0.090 C ATOM 18 C LIG 1 1.196 3.120 1.259 0.00 0.00 +0.039 C ATOM 19 C LIG 1 1.917 4.476 1.264 0.00 0.00 +0.100 C ATOM 20 C LIG 1 1.070 5.568 0.605 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.764 5.257 -0.861 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.712 3.759 -1.175 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 2.260 4.864 2.683 0.00 0.00 +0.308 C ATOM 24 O LIG 1 1.553 5.485 3.459 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 3.474 4.421 3.058 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 3.559 4.692 3.995 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -7.122 -2.854 2.471 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -6.213 -2.829 1.369 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 2.240 0.815 -1.241 0.00 0.00 +0.182 C BRANCH 29 30 ATOM 30 N LIG 1 3.062 -0.348 -0.926 0.00 0.00 -0.294 N ATOM 31 C LIG 1 3.733 -0.403 0.286 0.00 0.00 +0.216 C ATOM 32 O LIG 1 3.805 0.552 1.059 0.00 0.00 -0.276 OA ATOM 33 C LIG 1 4.338 -1.753 0.639 0.00 0.00 +0.103 C ATOM 34 C LIG 1 4.896 -2.536 -0.540 0.00 0.00 -0.020 C ATOM 35 C LIG 1 6.383 -2.848 -0.558 0.00 0.00 +0.008 C ATOM 36 C LIG 1 5.403 -3.940 -0.260 0.00 0.00 +0.008 C ATOM 37 C LIG 1 4.228 -2.274 -1.876 0.00 0.00 +0.026 C ATOM 38 C LIG 1 2.886 -1.571 -1.699 0.00 0.00 +0.109 C ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6