REMARK Name = BDB021640 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.071 4.563 0.832 0.00 0.00 +0.053 C ATOM 2 C LIG 1 -0.143 3.464 1.869 0.00 0.00 +0.188 C ATOM 3 O LIG 1 -1.319 2.727 1.568 0.00 0.00 -0.487 OA ATOM 4 C LIG 1 -1.317 1.609 0.794 0.00 0.00 +0.137 A ATOM 5 C LIG 1 -0.286 0.983 0.087 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -0.604 -0.184 -0.649 0.00 0.00 +0.020 A ATOM 7 C LIG 1 -1.894 -0.723 -0.685 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -2.912 -0.104 0.019 0.00 0.00 +0.124 A ATOM 9 C LIG 1 1.147 1.395 -0.024 0.00 0.00 +0.250 C ATOM 10 O LIG 1 1.800 0.970 -0.981 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 1.747 2.197 0.934 0.00 0.00 -0.291 N ATOM 12 C LIG 1 -2.613 1.052 0.742 0.00 0.00 +0.092 A ATOM 13 C LIG 1 1.076 2.596 2.157 0.00 0.00 +0.152 C ENDROOT BRANCH 8 14 ATOM 14 O LIG 1 -4.218 -0.492 0.077 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 -4.607 -1.751 -0.495 0.00 0.00 +0.176 C ATOM 16 C LIG 1 -5.832 -2.252 0.295 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -7.173 -1.704 -0.229 0.00 0.00 +0.061 C ATOM 18 N LIG 1 -7.250 -2.097 -1.651 0.00 0.00 -0.294 NA ATOM 19 C LIG 1 -6.348 -1.115 -2.287 0.00 0.00 +0.061 C ATOM 20 C LIG 1 -6.677 0.218 -1.612 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -7.224 -0.174 -0.240 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -4.912 -1.593 -1.997 0.00 0.00 +0.063 C BRANCH 18 23 ATOM 23 C LIG 1 -8.614 -2.040 -2.209 0.00 0.00 +0.118 C BRANCH 23 24 ATOM 24 C LIG 1 -9.502 -3.196 -1.748 0.00 0.00 +0.228 C ATOM 25 F LIG 1 -10.710 -3.094 -2.370 0.00 0.00 -0.248 F ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 14 15 ENDBRANCH 8 14 BRANCH 11 26 ATOM 26 C LIG 1 3.202 2.389 0.867 0.00 0.00 +0.140 C BRANCH 26 27 ATOM 27 C LIG 1 3.975 1.258 1.564 0.00 0.00 +0.146 C BRANCH 27 28 ATOM 28 O LIG 1 3.827 1.377 2.990 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 4.595 0.886 3.352 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 5.480 1.329 1.224 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 6.263 0.386 2.059 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 6.144 -1.014 1.595 0.00 0.00 +0.120 C ATOM 33 C LIG 1 6.942 -1.349 0.352 0.00 0.00 -0.030 A ATOM 34 C LIG 1 8.055 -0.576 -0.026 0.00 0.00 -0.042 A ATOM 35 C LIG 1 8.797 -0.931 -1.160 0.00 0.00 +0.004 A ATOM 36 C LIG 1 8.452 -2.059 -1.903 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.361 -2.837 -1.522 0.00 0.00 +0.000 A ATOM 38 C LIG 1 8.410 0.669 0.746 0.00 0.00 +0.051 C ATOM 39 C LIG 1 6.611 -2.487 -0.399 0.00 0.00 +0.005 A ATOM 40 C LIG 1 7.693 0.749 2.101 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 11 26 TORSDOF 9