REMARK Name = BDB027152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.188 -1.102 0.303 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.411 -1.336 1.793 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.397 -0.590 2.463 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.637 -0.784 3.824 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.905 -1.733 4.532 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.940 -2.497 3.878 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.699 -2.307 2.515 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.302 -1.253 -0.107 0.00 0.00 +0.186 C ATOM 9 O LIG 1 0.710 -2.300 -0.622 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 5.278 0.766 -0.718 0.00 0.00 +0.006 A ATOM 11 C LIG 1 4.396 1.625 -0.039 0.00 0.00 +0.036 A ATOM 12 C LIG 1 3.077 1.202 0.177 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.598 -0.035 -0.253 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.217 -0.127 0.134 0.00 0.00 +0.044 A ATOM 15 C LIG 1 0.917 1.057 0.788 0.00 0.00 +0.095 A ATOM 16 C LIG 1 3.491 -0.888 -0.933 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.040 1.842 0.810 0.00 0.00 -0.360 N ATOM 18 H LIG 1 2.106 2.758 1.233 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 4.815 -0.480 -1.157 0.00 0.00 +0.011 A BRANCH 10 24 ATOM 20 C LIG 1 10.075 1.106 -1.947 0.00 0.00 +0.174 C ATOM 21 N LIG 1 8.734 1.333 -1.483 0.00 0.00 -0.254 N ATOM 22 N LIG 1 8.401 2.514 -0.940 0.00 0.00 -0.065 NA ATOM 23 N LIG 1 7.120 2.444 -0.602 0.00 0.00 -0.130 NA ATOM 24 C LIG 1 6.648 1.199 -0.944 0.00 0.00 +0.113 A ATOM 25 C LIG 1 7.675 0.476 -1.511 0.00 0.00 +0.138 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.054 -2.037 -0.459 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -1.632 -2.965 -0.379 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.207 -1.712 -1.881 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -2.750 -0.310 -2.230 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -3.982 0.177 -1.496 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -4.166 1.558 -1.325 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.289 2.053 -0.657 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -6.259 1.176 -0.164 0.00 0.00 +0.037 A ATOM 34 C LIG 1 -6.089 -0.201 -0.334 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -4.964 -0.693 -1.006 0.00 0.00 +0.004 A BRANCH 33 36 ATOM 36 C LIG 1 -7.432 1.750 0.548 0.00 0.00 +0.242 C ATOM 37 O LIG 1 -7.409 2.880 1.021 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 -8.562 0.984 0.626 0.00 0.00 -0.325 N ATOM 39 H LIG 1 -8.714 0.188 0.024 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 -9.382 1.446 1.001 0.00 0.00 +0.145 HD ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9