REMARK Name = BDB027109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.125 -0.271 0.651 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -1.571 0.232 -0.384 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.796 1.055 -1.124 0.00 0.00 -0.045 A ATOM 4 C LIG 1 3.816 0.328 0.076 0.00 0.00 +0.030 A ATOM 5 C LIG 1 2.591 -0.070 0.629 0.00 0.00 +0.047 A ATOM 6 C LIG 1 1.361 0.219 0.038 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.331 -0.335 0.875 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.981 -0.946 1.935 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.362 0.947 -1.170 0.00 0.00 +0.011 A ATOM 10 N LIG 1 2.330 -0.774 1.779 0.00 0.00 -0.360 N ATOM 11 H LIG 1 3.039 -1.111 2.417 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 2.575 1.355 -1.737 0.00 0.00 +0.004 A BRANCH 3 13 ATOM 13 C LIG 1 5.091 1.491 -1.767 0.00 0.00 +0.044 C BRANCH 13 14 ATOM 14 C LIG 1 5.512 0.540 -2.881 0.00 0.00 +0.100 C BRANCH 14 18 ATOM 15 C LIG 1 8.107 -0.512 -1.861 0.00 0.00 +0.128 C ATOM 16 N LIG 1 7.989 0.530 -2.851 0.00 0.00 -0.318 N ATOM 17 H LIG 1 8.827 0.829 -3.338 0.00 0.00 +0.148 HD ATOM 18 C LIG 1 6.844 0.969 -3.450 0.00 0.00 +0.213 C ATOM 19 O LIG 1 6.921 1.738 -4.407 0.00 0.00 -0.276 OA ENDBRANCH 14 18 ENDBRANCH 13 14 ENDBRANCH 3 13 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 -2.075 -0.880 1.724 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 -2.056 -0.178 3.076 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -2.364 -0.913 4.234 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -2.363 -0.304 5.490 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.063 1.051 5.606 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.773 1.799 4.467 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -1.775 1.192 3.209 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -3.455 -1.093 1.197 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 -3.356 -1.454 0.244 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.268 0.131 1.122 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -5.598 -0.115 0.383 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -5.469 -0.572 -1.055 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -6.146 -1.724 -1.486 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -6.045 -2.152 -2.811 0.00 0.00 +0.038 A ATOM 34 C LIG 1 -5.271 -1.426 -3.708 0.00 0.00 +0.123 A ATOM 35 F LIG 1 -5.174 -1.838 -4.979 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -4.599 -0.280 -3.306 0.00 0.00 +0.038 A ATOM 37 C LIG 1 -4.702 0.151 -1.982 0.00 0.00 +0.006 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 10