REMARK Name = BDB021577 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.369 1.437 0.068 0.00 0.00 +0.124 A ATOM 2 C LIG 1 2.398 1.364 -0.930 0.00 0.00 +0.092 A ATOM 3 C LIG 1 1.183 0.673 -0.747 0.00 0.00 +0.136 A ATOM 4 O LIG 1 0.415 0.746 -1.872 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -0.764 -0.037 -1.944 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -1.736 0.342 -0.844 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -1.532 -0.503 0.318 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -0.290 -0.714 0.908 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -0.151 -1.527 1.826 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.927 0.050 0.480 0.00 0.00 +0.079 A ATOM 11 C LIG 1 1.926 0.137 1.480 0.00 0.00 +0.020 A ATOM 12 C LIG 1 3.130 0.820 1.283 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 4.499 2.140 -0.260 0.00 0.00 -0.489 OA BRANCH 13 18 ATOM 14 N LIG 1 8.903 0.776 -1.494 0.00 0.00 -0.301 NA ATOM 15 C LIG 1 7.466 1.086 -1.657 0.00 0.00 +0.092 C ATOM 16 C LIG 1 7.436 1.526 -0.214 0.00 0.00 +0.003 C ATOM 17 C LIG 1 6.879 2.886 0.117 0.00 0.00 +0.054 C ATOM 18 C LIG 1 5.615 2.153 0.659 0.00 0.00 +0.175 C ATOM 19 C LIG 1 6.476 0.854 0.732 0.00 0.00 +0.054 C ATOM 20 C LIG 1 8.912 1.271 -0.103 0.00 0.00 +0.092 C BRANCH 14 22 ATOM 21 C LIG 1 8.419 -1.671 -0.779 0.00 0.00 +0.020 C ATOM 22 C LIG 1 9.209 -0.655 -1.606 0.00 0.00 +0.081 C ENDBRANCH 14 22 ENDBRANCH 13 18 ENDBRANCH 1 13 BRANCH 7 23 ATOM 23 C LIG 1 -2.734 -1.033 0.986 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -3.534 0.059 1.729 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -2.743 0.604 2.795 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -3.228 1.355 3.174 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -4.845 -0.509 2.319 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -5.801 -1.026 1.324 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -6.391 0.063 0.519 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -7.518 -0.384 -0.390 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -8.199 -1.591 -0.157 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -9.254 -1.970 -0.998 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -9.649 -1.143 -2.048 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.992 0.065 -2.269 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.751 -2.503 0.955 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -7.933 0.445 -1.443 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.877 -1.782 1.988 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 8