REMARK Name = BDB030393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.082 -0.200 2.134 0.00 0.00 -0.004 A ATOM 2 C LIG 1 0.750 0.854 2.984 0.00 0.00 +0.164 A ATOM 3 F LIG 1 1.657 1.319 3.855 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -0.513 1.437 2.936 0.00 0.00 +0.180 A ATOM 5 F LIG 1 -0.797 2.458 3.760 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -1.501 0.989 2.043 0.00 0.00 +0.082 A ATOM 7 C LIG 1 -1.181 -0.087 1.192 0.00 0.00 +0.063 A ATOM 8 C LIG 1 0.108 -0.661 1.235 0.00 0.00 +0.022 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -2.150 -0.705 0.241 0.00 0.00 +0.269 C ATOM 10 N LIG 1 -3.470 -0.704 0.647 0.00 0.00 -0.190 N ATOM 11 H LIG 1 -3.757 0.056 1.260 0.00 0.00 +0.183 HD ATOM 12 O LIG 1 -1.729 -1.189 -0.806 0.00 0.00 -0.268 OA BRANCH 10 13 ATOM 13 O LIG 1 -4.388 -0.980 -0.398 0.00 0.00 -0.274 OA BRANCH 13 14 ATOM 14 C LIG 1 -5.099 -2.211 -0.153 0.00 0.00 +0.087 C ATOM 15 C LIG 1 -4.150 -3.417 -0.145 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.903 -2.128 1.152 0.00 0.00 +0.043 C ATOM 17 C LIG 1 -6.075 -2.354 -1.329 0.00 0.00 +0.043 C ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 7 9 BRANCH 6 18 ATOM 18 N LIG 1 -2.733 1.699 1.988 0.00 0.00 -0.309 N ATOM 19 H LIG 1 -2.913 2.168 2.885 0.00 0.00 +0.152 HD BRANCH 18 20 ATOM 20 C LIG 1 -3.145 2.595 0.956 0.00 0.00 +0.067 A ATOM 21 C LIG 1 -4.283 3.392 1.177 0.00 0.00 +0.145 A ATOM 22 F LIG 1 -4.888 3.344 2.375 0.00 0.00 -0.204 F ATOM 23 C LIG 1 -4.798 4.240 0.202 0.00 0.00 +0.054 A ATOM 24 C LIG 1 -4.178 4.290 -1.042 0.00 0.00 +0.016 A ATOM 25 I LIG 1 -4.924 5.541 -2.521 0.00 0.00 -0.044 I ATOM 26 C LIG 1 -3.059 3.498 -1.301 0.00 0.00 +0.016 A ATOM 27 C LIG 1 -2.550 2.649 -0.309 0.00 0.00 +0.027 A ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 1 28 ATOM 28 C LIG 1 2.462 -0.808 2.161 0.00 0.00 +0.076 C BRANCH 28 32 ATOM 29 C LIG 1 4.442 0.057 -0.986 0.00 0.00 +0.083 A ATOM 30 C LIG 1 3.567 -0.576 -0.096 0.00 0.00 +0.149 A ATOM 31 F LIG 1 2.842 -1.622 -0.525 0.00 0.00 -0.203 F ATOM 32 C LIG 1 3.425 -0.130 1.221 0.00 0.00 -0.006 A ATOM 33 C LIG 1 4.184 0.974 1.637 0.00 0.00 +0.007 A ATOM 34 C LIG 1 5.072 1.600 0.756 0.00 0.00 +0.002 A ATOM 35 C LIG 1 5.207 1.138 -0.554 0.00 0.00 +0.027 A BRANCH 29 36 ATOM 36 N LIG 1 4.613 -0.462 -2.311 0.00 0.00 -0.218 N ATOM 37 H LIG 1 3.772 -0.934 -2.663 0.00 0.00 +0.173 HD BRANCH 36 38 ATOM 38 S LIG 1 5.907 -1.546 -2.516 0.00 0.00 +0.043 S ATOM 39 O LIG 1 6.516 -1.841 -1.238 0.00 0.00 -0.155 OA ATOM 40 O LIG 1 5.399 -2.590 -3.380 0.00 0.00 -0.155 OA BRANCH 38 42 ATOM 41 C LIG 1 8.265 -1.307 -3.879 0.00 0.00 +0.030 C ATOM 42 C LIG 1 7.024 -0.534 -3.478 0.00 0.00 +0.185 C ENDBRANCH 38 42 ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 28 32 ENDBRANCH 1 28 TORSDOF 10