REMARK Name = BDB027439 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.853 1.156 -1.079 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.472 1.269 -1.291 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.052 2.565 -1.310 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.667 3.700 -1.135 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.999 3.578 -0.934 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.615 2.327 -0.897 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.733 4.846 -0.745 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.110 5.944 -0.119 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -2.792 7.143 0.070 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -2.172 8.165 0.678 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -4.103 7.282 -0.362 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -4.759 8.436 -0.180 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.745 6.224 -0.992 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.063 5.016 -1.184 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 0.312 0.110 -1.478 0.00 0.00 -0.326 N ATOM 16 C LIG 1 1.251 -0.112 -0.332 0.00 0.00 +0.133 C ATOM 17 C LIG 1 2.440 -1.075 -0.687 0.00 0.00 +0.075 C ATOM 18 C LIG 1 2.002 -2.047 -1.804 0.00 0.00 +0.031 C ATOM 19 C LIG 1 1.502 -1.325 -3.065 0.00 0.00 +0.021 C ATOM 20 C LIG 1 0.973 0.086 -2.793 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 C LIG 1 2.902 -1.806 0.588 0.00 0.00 +0.063 A ATOM 22 N LIG 1 4.081 -1.397 1.140 0.00 0.00 -0.249 NA ATOM 23 C LIG 1 4.514 -2.006 2.281 0.00 0.00 +0.107 A ATOM 24 C LIG 1 3.788 -3.018 2.903 0.00 0.00 +0.029 A ATOM 25 C LIG 1 2.586 -3.425 2.337 0.00 0.00 +0.004 A ATOM 26 C LIG 1 2.138 -2.816 1.170 0.00 0.00 +0.025 A BRANCH 23 27 ATOM 27 C LIG 1 5.820 -1.548 2.895 0.00 0.00 +0.390 C ATOM 28 F LIG 1 6.651 -2.587 3.207 0.00 0.00 -0.202 F ATOM 29 F LIG 1 5.642 -0.860 4.061 0.00 0.00 -0.202 F ENDBRANCH 23 27 ENDBRANCH 17 21 BRANCH 17 30 ATOM 30 N LIG 1 3.584 -0.282 -1.246 0.00 0.00 -0.319 NA ATOM 31 H LIG 1 3.949 0.267 -0.460 0.00 0.00 +0.119 HD ATOM 32 H LIG 1 4.343 -0.945 -1.421 0.00 0.00 +0.119 HD ENDBRANCH 17 30 ENDBRANCH 2 15 BRANCH 1 33 ATOM 33 C LIG 1 -2.541 -0.187 -1.045 0.00 0.00 +0.160 C BRANCH 33 38 ATOM 34 C LIG 1 -1.566 -3.826 2.080 0.00 0.00 +0.144 A ATOM 35 C LIG 1 -1.888 -2.525 1.630 0.00 0.00 +0.128 A ATOM 36 N LIG 1 -2.147 -1.376 2.352 0.00 0.00 -0.232 NA ATOM 37 C LIG 1 -2.395 -0.453 1.452 0.00 0.00 +0.200 A ATOM 38 N LIG 1 -2.284 -0.938 0.176 0.00 0.00 -0.325 N ATOM 39 C LIG 1 -1.968 -2.276 0.260 0.00 0.00 +0.074 A ATOM 40 C LIG 1 -1.750 -3.276 -0.685 0.00 0.00 +0.048 A ATOM 41 C LIG 1 -1.424 -4.516 -0.152 0.00 0.00 +0.115 A ATOM 42 N LIG 1 -1.311 -4.797 1.168 0.00 0.00 -0.238 NA BRANCH 34 43 ATOM 43 N LIG 1 -1.464 -4.152 3.424 0.00 0.00 -0.341 N ATOM 44 H LIG 1 -0.909 -4.981 3.579 0.00 0.00 +0.144 HD ATOM 45 H LIG 1 -1.324 -3.348 4.024 0.00 0.00 +0.144 HD ENDBRANCH 34 43 ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 8