REMARK Name = BDB021571 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.449 -0.533 -1.079 0.00 0.00 +0.124 A ATOM 2 C LIG 1 3.792 0.414 -0.301 0.00 0.00 +0.092 A ATOM 3 C LIG 1 2.421 0.711 -0.481 0.00 0.00 +0.136 A ATOM 4 O LIG 1 2.024 1.672 0.405 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 0.882 2.434 0.061 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -0.361 1.585 0.202 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -0.687 0.930 -1.052 0.00 0.00 -0.292 N ATOM 8 C LIG 1 0.205 0.127 -1.763 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -0.228 -0.552 -2.702 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.671 0.022 -1.443 0.00 0.00 +0.079 A ATOM 11 C LIG 1 2.360 -0.936 -2.223 0.00 0.00 +0.020 A ATOM 12 C LIG 1 3.721 -1.206 -2.047 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 5.761 -0.896 -0.997 0.00 0.00 -0.489 OA BRANCH 13 17 ATOM 14 N LIG 1 8.751 0.247 1.661 0.00 0.00 -0.269 N ATOM 15 C LIG 1 7.461 -0.165 2.291 0.00 0.00 +0.120 C ATOM 16 C LIG 1 6.540 -0.875 1.307 0.00 0.00 +0.064 C ATOM 17 C LIG 1 6.624 -0.224 -0.073 0.00 0.00 +0.176 C ATOM 18 C LIG 1 8.053 -0.329 -0.630 0.00 0.00 +0.064 C ATOM 19 C LIG 1 9.101 -0.544 0.455 0.00 0.00 +0.120 C BRANCH 14 21 ATOM 20 N LIG 1 10.460 1.554 2.936 0.00 0.00 -0.174 NA ATOM 21 C LIG 1 9.670 0.950 2.344 0.00 0.00 +0.169 C ENDBRANCH 14 21 ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 7 22 ATOM 22 C LIG 1 -2.117 0.807 -1.381 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -2.811 -0.369 -0.654 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -2.152 -1.611 -0.926 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -1.699 -1.528 -1.790 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.296 -0.440 -1.091 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -5.101 -1.526 -0.494 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -6.488 -1.504 -0.993 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -7.373 -0.455 -0.350 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -7.060 0.079 0.914 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.913 1.022 1.502 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -9.081 1.418 0.850 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -9.403 0.878 -0.393 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.779 -0.315 1.609 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -8.557 -0.057 -0.989 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.117 -1.547 0.975 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 8