REMARK Name = BDB034338 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.343 1.999 -0.486 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.981 1.513 -0.321 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.037 2.401 -0.623 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -3.349 1.970 -0.468 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -3.682 0.678 -0.025 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -2.633 -0.199 0.263 0.00 0.00 +0.009 A ATOM 7 N LIG 1 -1.836 3.653 -1.065 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 -0.567 4.074 -1.231 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -1.305 0.208 0.118 0.00 0.00 +0.012 A ATOM 10 C LIG 1 0.539 3.293 -0.970 0.00 0.00 +0.043 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.086 0.265 0.128 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -5.569 -0.905 -0.469 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -6.906 -1.296 -0.320 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -7.817 -0.534 0.434 0.00 0.00 -0.042 A ATOM 15 C LIG 1 -7.327 0.638 1.030 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -5.989 1.029 0.879 0.00 0.00 +0.009 A BRANCH 14 17 ATOM 17 C LIG 1 -9.279 -0.992 0.576 0.00 0.00 -0.013 C ATOM 18 C LIG 1 -9.324 -2.386 1.238 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -10.149 -0.049 1.437 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -9.935 -1.072 -0.820 0.00 0.00 +0.015 C ENDBRANCH 14 17 ENDBRANCH 5 11 BRANCH 1 21 ATOM 21 N LIG 1 1.496 1.199 -0.264 0.00 0.00 -0.343 N ATOM 22 H LIG 1 1.299 0.496 0.445 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 1.975 0.574 -1.503 0.00 0.00 +0.103 C BRANCH 23 24 ATOM 24 C LIG 1 3.311 -0.127 -1.248 0.00 0.00 +0.034 C BRANCH 24 25 ATOM 25 C LIG 1 4.439 0.876 -0.987 0.00 0.00 +0.083 C BRANCH 25 26 ATOM 26 N LIG 1 5.758 0.244 -0.852 0.00 0.00 -0.312 NA ATOM 27 H LIG 1 5.873 -0.470 -1.576 0.00 0.00 +0.122 HD BRANCH 26 28 ATOM 28 C LIG 1 5.939 -0.394 0.460 0.00 0.00 +0.120 C BRANCH 28 31 ATOM 29 C LIG 1 9.785 -0.696 0.449 0.00 0.00 +0.162 A ATOM 30 C LIG 1 8.486 -0.214 0.218 0.00 0.00 +0.163 A ATOM 31 C LIG 1 7.345 -0.929 0.630 0.00 0.00 +0.011 A ATOM 32 C LIG 1 7.535 -2.148 1.297 0.00 0.00 +0.009 A ATOM 33 C LIG 1 8.820 -2.641 1.526 0.00 0.00 +0.004 A ATOM 34 C LIG 1 9.940 -1.920 1.104 0.00 0.00 +0.049 A BRANCH 29 36 ATOM 35 C LIG 1 12.137 -0.348 0.267 0.00 0.00 +0.277 C ATOM 36 O LIG 1 10.814 0.086 -0.005 0.00 0.00 -0.491 OA ENDBRANCH 29 36 BRANCH 30 37 ATOM 37 O LIG 1 8.345 0.988 -0.436 0.00 0.00 -0.503 OA ATOM 38 H LIG 1 7.404 1.053 -0.707 0.00 0.00 +0.292 HD ENDBRANCH 30 37 ENDBRANCH 28 31 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 11