REMARK Name = BDB025043 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.987 -0.603 0.050 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.010 0.277 -0.449 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.500 1.538 -1.045 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.191 1.289 -2.396 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.425 2.615 -1.257 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.430 2.611 -0.116 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.790 1.253 -0.086 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.406 1.082 0.127 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.445 2.038 0.318 0.00 0.00 -0.228 NA ATOM 10 C LIG 1 -0.704 1.397 0.444 0.00 0.00 +0.152 A ATOM 11 N LIG 1 -0.500 0.025 0.400 0.00 0.00 -0.321 N ATOM 12 C LIG 1 0.847 -0.189 0.156 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.624 -1.334 -0.046 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.999 -1.158 -0.250 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.599 0.108 -0.252 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.194 -0.446 -0.126 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.516 -1.012 0.572 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.229 -1.957 1.753 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.354 -2.978 1.930 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -2.621 -3.748 0.633 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.918 -2.804 -0.536 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.800 -1.780 -0.729 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -3.741 -4.745 0.819 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.643 -5.956 0.711 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.922 -4.180 1.130 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.535 -4.940 1.216 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.493 -2.479 1.372 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.497 -1.620 0.815 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.024 2.114 0.619 0.00 0.00 +0.236 C ATOM 30 C LIG 1 -2.461 2.092 2.083 0.00 0.00 +0.060 C BRANCH 29 31 ATOM 31 O LIG 1 -2.976 1.471 -0.232 0.00 0.00 -0.481 OA BRANCH 31 32 ATOM 32 C LIG 1 -4.073 2.160 -0.662 0.00 0.00 +0.122 A ATOM 33 C LIG 1 -4.939 1.413 -1.467 0.00 0.00 +0.045 A ATOM 34 C LIG 1 -6.106 1.982 -1.980 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -6.416 3.308 -1.690 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.557 4.059 -0.890 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -4.388 3.488 -0.377 0.00 0.00 +0.045 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7