REMARK Name = BDB027111 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.318 -0.255 0.546 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -0.306 0.249 1.675 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 4.743 1.508 -0.068 0.00 0.00 -0.045 A ATOM 4 C LIG 1 4.293 0.725 -1.143 0.00 0.00 +0.030 A ATOM 5 C LIG 1 2.988 0.217 -1.091 0.00 0.00 +0.047 A ATOM 6 C LIG 1 2.124 0.449 -0.020 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.883 -0.219 -0.305 0.00 0.00 +0.044 A ATOM 8 C LIG 1 1.046 -0.830 -1.537 0.00 0.00 +0.095 A ATOM 9 C LIG 1 2.597 1.234 1.053 0.00 0.00 +0.011 A ATOM 10 N LIG 1 2.309 -0.561 -1.995 0.00 0.00 -0.360 N ATOM 11 H LIG 1 2.695 -0.886 -2.872 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 3.897 1.752 1.018 0.00 0.00 +0.004 A BRANCH 3 13 ATOM 13 C LIG 1 6.149 2.058 -0.072 0.00 0.00 +0.046 C BRANCH 13 14 ATOM 14 C LIG 1 7.123 1.107 0.617 0.00 0.00 +0.125 C BRANCH 14 16 ATOM 15 O LIG 1 8.902 2.694 0.078 0.00 0.00 -0.251 OA ATOM 16 C LIG 1 8.519 1.660 0.597 0.00 0.00 +0.305 C BRANCH 16 17 ATOM 17 O LIG 1 9.388 0.857 1.243 0.00 0.00 -0.481 OA ATOM 18 H LIG 1 10.248 1.320 1.162 0.00 0.00 +0.295 HD ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 3 13 ENDBRANCH 1 7 BRANCH 1 19 ATOM 19 C LIG 1 -1.594 -0.976 0.017 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 -1.530 -2.470 0.307 0.00 0.00 -0.023 A ATOM 21 C LIG 1 -1.747 -3.395 -0.728 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -1.702 -4.767 -0.477 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -1.445 -5.233 0.810 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -1.237 -4.329 1.849 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.282 -2.956 1.602 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 -2.786 -0.320 0.607 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -2.706 -0.354 1.624 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.061 -0.877 0.156 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -5.249 -0.015 0.617 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.414 1.260 -0.179 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -6.321 1.317 -1.248 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -6.465 2.491 -1.989 0.00 0.00 +0.038 A ATOM 33 C LIG 1 -5.700 3.606 -1.664 0.00 0.00 +0.123 A ATOM 34 F LIG 1 -5.838 4.731 -2.378 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -4.793 3.568 -0.613 0.00 0.00 +0.038 A ATOM 36 C LIG 1 -4.649 2.396 0.130 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 1 19 TORSDOF 11