REMARK Name = BDB047245 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.033 2.678 1.695 0.00 0.00 +0.064 C ATOM 2 C LIG 1 -1.860 1.295 1.154 0.00 0.00 +0.027 A ATOM 3 N LIG 1 -2.496 0.845 -0.007 0.00 0.00 -0.298 N ATOM 4 C LIG 1 -2.225 -0.522 -0.150 0.00 0.00 +0.056 A ATOM 5 C LIG 1 -1.274 -0.867 0.815 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.790 -2.195 0.859 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -1.261 -3.137 -0.056 0.00 0.00 +0.131 A ATOM 8 C LIG 1 -2.268 -2.812 -0.949 0.00 0.00 +0.048 A ATOM 9 C LIG 1 -2.769 -1.508 -1.005 0.00 0.00 +0.030 A ATOM 10 C LIG 1 -1.015 0.289 1.613 0.00 0.00 -0.014 A ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -3.290 1.656 -0.895 0.00 0.00 +0.138 A ATOM 12 N LIG 1 -3.934 2.736 -0.382 0.00 0.00 -0.238 NA ATOM 13 C LIG 1 -4.676 3.492 -1.222 0.00 0.00 +0.113 A ATOM 14 C LIG 1 -4.800 3.240 -2.575 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.113 2.155 -3.100 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -3.344 1.354 -2.255 0.00 0.00 +0.047 A ENDBRANCH 3 11 BRANCH 7 17 ATOM 17 O LIG 1 -0.813 -4.428 -0.018 0.00 0.00 -0.406 OA BRANCH 17 18 ATOM 18 C LIG 1 0.485 -4.537 -0.596 0.00 0.00 +0.575 C ATOM 19 F LIG 1 0.840 -5.840 -0.617 0.00 0.00 -0.133 F ATOM 20 F LIG 1 0.495 -4.074 -1.864 0.00 0.00 -0.133 F ATOM 21 F LIG 1 1.404 -3.862 0.133 0.00 0.00 -0.133 F ENDBRANCH 17 18 ENDBRANCH 7 17 BRANCH 10 22 ATOM 22 C LIG 1 -0.052 0.360 2.765 0.00 0.00 +0.072 C BRANCH 22 23 ATOM 23 C LIG 1 1.242 0.913 2.207 0.00 0.00 -0.040 A ATOM 24 C LIG 1 2.099 0.104 1.435 0.00 0.00 +0.049 A ATOM 25 C LIG 1 3.282 0.615 0.899 0.00 0.00 +0.122 A ATOM 26 C LIG 1 3.630 1.941 1.160 0.00 0.00 +0.046 A ATOM 27 C LIG 1 2.803 2.752 1.936 0.00 0.00 +0.004 A ATOM 28 C LIG 1 1.615 2.241 2.456 0.00 0.00 +0.004 A BRANCH 25 29 ATOM 29 O LIG 1 4.174 -0.064 0.116 0.00 0.00 -0.478 OA BRANCH 29 30 ATOM 30 C LIG 1 3.850 -1.397 -0.313 0.00 0.00 +0.278 C ATOM 31 C LIG 1 2.922 -1.360 -1.521 0.00 0.00 +0.064 C BRANCH 30 32 ATOM 32 C LIG 1 5.165 -2.068 -0.720 0.00 0.00 +0.346 C ATOM 33 O LIG 1 5.250 -3.187 -1.204 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 6.256 -1.297 -0.481 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 5.965 -0.437 -0.103 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 22 23 ENDBRANCH 10 22 TORSDOF 9