REMARK Name = BDB030481 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.471 -0.007 -0.476 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -0.634 -0.057 0.638 0.00 0.00 +0.203 A ATOM 3 F LIG 1 -0.839 0.697 1.732 0.00 0.00 -0.198 F ATOM 4 C LIG 1 0.472 -0.908 0.609 0.00 0.00 +0.159 A ATOM 5 N LIG 1 0.746 -1.663 -0.466 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 -0.104 -1.562 -1.493 0.00 0.00 +0.225 A ATOM 7 N LIG 1 -1.190 -0.780 -1.552 0.00 0.00 -0.218 NA ENDROOT BRANCH 4 8 ATOM 8 N LIG 1 1.353 -0.904 1.713 0.00 0.00 -0.326 N ATOM 9 H LIG 1 0.798 -0.912 2.567 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 2.403 -1.919 1.720 0.00 0.00 +0.106 C BRANCH 10 11 ATOM 11 C LIG 1 3.634 -1.478 0.905 0.00 0.00 +0.008 C ATOM 12 C LIG 1 4.233 -0.174 1.465 0.00 0.00 +0.020 C ATOM 13 C LIG 1 5.712 -0.049 1.109 0.00 0.00 +0.085 C ATOM 14 N LIG 1 6.548 -1.135 1.650 0.00 0.00 -0.294 NA ATOM 15 C LIG 1 5.789 -2.377 1.896 0.00 0.00 +0.085 C ATOM 16 C LIG 1 4.691 -2.597 0.857 0.00 0.00 +0.020 C BRANCH 14 17 ATOM 17 C LIG 1 7.252 -0.701 2.885 0.00 0.00 +0.180 C BRANCH 17 18 ATOM 18 C LIG 1 8.353 -1.695 3.262 0.00 0.00 +0.225 C ATOM 19 O LIG 1 8.565 -2.083 4.405 0.00 0.00 -0.275 OA ATOM 20 N LIG 1 9.136 -2.099 2.215 0.00 0.00 -0.328 N ATOM 21 H LIG 1 9.775 -2.860 2.396 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 8.723 -2.026 1.290 0.00 0.00 +0.145 HD ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 4 8 BRANCH 1 23 ATOM 23 N LIG 1 -2.650 0.788 -0.527 0.00 0.00 -0.305 N BRANCH 23 24 ATOM 24 C LIG 1 -3.070 1.597 0.636 0.00 0.00 +0.075 C ATOM 25 C LIG 1 -3.630 0.936 1.873 0.00 0.00 +0.024 C ATOM 26 C LIG 1 -4.520 1.770 1.010 0.00 0.00 +0.024 C ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 -2.890 1.378 -1.856 0.00 0.00 +0.142 C BRANCH 27 30 ATOM 28 C LIG 1 -4.572 3.879 -2.246 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -5.141 2.497 -2.428 0.00 0.00 -0.045 A ATOM 30 C LIG 1 -4.360 1.335 -2.239 0.00 0.00 -0.027 A ATOM 31 C LIG 1 -4.956 0.074 -2.429 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -6.297 -0.041 -2.793 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -7.081 1.103 -2.983 0.00 0.00 +0.055 A ATOM 34 C LIG 1 -6.492 2.364 -2.798 0.00 0.00 +0.016 A BRANCH 33 35 ATOM 35 C LIG 1 -8.532 0.966 -3.372 0.00 0.00 +0.417 C ATOM 36 F LIG 1 -9.275 0.363 -2.404 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -8.703 0.216 -4.497 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -9.145 2.158 -3.624 0.00 0.00 -0.166 F ENDBRANCH 33 35 ENDBRANCH 27 30 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 10