REMARK Name = BDB032164 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.963 -1.262 0.124 0.00 0.00 -0.007 A ATOM 2 C LIG 1 -1.745 -0.502 1.009 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -2.890 0.095 0.510 0.00 0.00 +0.045 A ATOM 4 C LIG 1 -3.878 0.926 1.203 0.00 0.00 +0.248 C ATOM 5 N LIG 1 -4.857 1.243 0.274 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.532 0.751 -1.063 0.00 0.00 +0.147 C ATOM 7 O LIG 1 -3.819 1.249 2.373 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.284 -0.020 -0.818 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -2.519 -0.754 -1.692 0.00 0.00 +0.129 A ATOM 10 F LIG 1 -2.876 -0.869 -2.976 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -1.358 -1.377 -1.230 0.00 0.00 +0.045 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -5.977 2.137 0.576 0.00 0.00 +0.163 C ATOM 13 C LIG 1 -6.728 2.619 -0.673 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -6.239 3.409 -1.481 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -7.931 2.012 -0.945 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -8.376 2.290 -1.810 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -8.451 0.892 -0.349 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -9.397 0.294 -0.853 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -7.754 0.397 0.894 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -6.969 1.513 1.563 0.00 0.00 +0.041 C ENDBRANCH 5 12 BRANCH 1 21 ATOM 21 C LIG 1 0.313 -1.913 0.596 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 O LIG 1 1.396 -1.074 0.189 0.00 0.00 -0.445 OA BRANCH 22 25 ATOM 23 N LIG 1 3.558 -0.656 0.114 0.00 0.00 -0.251 N ATOM 24 H LIG 1 3.163 0.141 -0.367 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 2.618 -1.545 0.552 0.00 0.00 +0.405 C ATOM 26 O LIG 1 2.790 -2.590 1.158 0.00 0.00 -0.226 OA BRANCH 23 31 ATOM 27 C LIG 1 9.261 -0.650 0.667 0.00 0.00 +0.047 C ATOM 28 C LIG 1 7.768 -0.670 0.516 0.00 0.00 -0.008 A ATOM 29 C LIG 1 7.096 0.337 -0.185 0.00 0.00 +0.132 A ATOM 30 C LIG 1 5.701 0.332 -0.287 0.00 0.00 +0.069 A ATOM 31 C LIG 1 4.953 -0.713 0.265 0.00 0.00 +0.040 A ATOM 32 C LIG 1 5.621 -1.741 0.930 0.00 0.00 +0.024 A ATOM 33 C LIG 1 7.016 -1.717 1.059 0.00 0.00 +0.009 A BRANCH 29 34 ATOM 34 O LIG 1 7.823 1.371 -0.714 0.00 0.00 -0.434 OA BRANCH 34 35 ATOM 35 C LIG 1 7.808 1.318 -2.136 0.00 0.00 +0.541 C ATOM 36 F LIG 1 8.850 2.066 -2.579 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.679 1.921 -2.585 0.00 0.00 -0.166 F ENDBRANCH 34 35 ENDBRANCH 29 34 ENDBRANCH 23 31 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 7