REMARK Name = BDB021570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.181 -1.921 0.493 0.00 0.00 +0.124 A ATOM 2 C LIG 1 1.441 -0.750 0.366 0.00 0.00 +0.092 A ATOM 3 C LIG 1 0.054 -0.765 0.091 0.00 0.00 +0.136 A ATOM 4 O LIG 1 -0.429 0.511 0.024 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -1.831 0.712 -0.040 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -2.413 0.078 -1.286 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -2.849 -1.278 -1.005 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -2.051 -2.238 -0.396 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -2.519 -3.348 -0.127 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.608 -1.988 -0.077 0.00 0.00 +0.079 A ATOM 11 C LIG 1 0.157 -3.168 0.061 0.00 0.00 +0.020 A ATOM 12 C LIG 1 1.526 -3.135 0.340 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 3.515 -2.026 0.756 0.00 0.00 -0.489 OA BRANCH 13 17 ATOM 14 N LIG 1 7.159 -0.386 0.118 0.00 0.00 -0.301 NA ATOM 15 C LIG 1 6.046 0.484 -0.287 0.00 0.00 +0.088 C ATOM 16 C LIG 1 4.721 -0.264 -0.400 0.00 0.00 +0.060 C ATOM 17 C LIG 1 4.295 -0.838 0.957 0.00 0.00 +0.176 C ATOM 18 C LIG 1 5.512 -1.230 1.806 0.00 0.00 +0.060 C ATOM 19 C LIG 1 6.719 -1.540 0.925 0.00 0.00 +0.088 C BRANCH 14 20 ATOM 20 C LIG 1 8.268 0.345 0.766 0.00 0.00 +0.095 C BRANCH 20 22 ATOM 21 C LIG 1 8.470 2.679 -0.317 0.00 0.00 +0.017 C ATOM 22 C LIG 1 9.050 1.270 -0.178 0.00 0.00 +0.027 C ATOM 23 C LIG 1 9.552 0.642 -1.496 0.00 0.00 +0.170 C ATOM 24 O LIG 1 10.904 1.105 -1.237 0.00 0.00 -0.378 OA ATOM 25 C LIG 1 10.561 1.339 0.153 0.00 0.00 +0.170 C ENDBRANCH 20 22 ENDBRANCH 14 20 ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 7 26 ATOM 26 C LIG 1 -4.207 -1.655 -1.410 0.00 0.00 +0.140 C BRANCH 26 27 ATOM 27 C LIG 1 -5.221 -1.770 -0.255 0.00 0.00 +0.146 C BRANCH 27 28 ATOM 28 O LIG 1 -6.439 -2.357 -0.737 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -6.227 -3.278 -0.974 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -5.521 -0.438 0.478 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 -5.752 0.753 -0.369 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 -7.040 0.703 -1.092 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -8.264 0.998 -0.250 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -8.162 1.742 0.939 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -9.317 2.039 1.676 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -10.568 1.619 1.224 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -10.674 0.895 0.040 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.809 2.156 1.460 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -9.529 0.588 -0.696 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -5.697 2.003 0.411 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 7 26 TORSDOF 9