REMARK Name = BDB030565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.066 -0.031 -0.648 0.00 0.00 +0.162 A ATOM 2 C LIG 1 0.178 -0.542 0.299 0.00 0.00 +0.203 A ATOM 3 F LIG 1 0.531 -0.699 1.587 0.00 0.00 -0.198 F ATOM 4 C LIG 1 -1.107 -0.896 -0.106 0.00 0.00 +0.159 A ATOM 5 N LIG 1 -1.498 -0.777 -1.390 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 -0.582 -0.285 -2.236 0.00 0.00 +0.225 A ATOM 7 N LIG 1 0.668 0.094 -1.931 0.00 0.00 -0.218 NA ENDROOT BRANCH 4 8 ATOM 8 N LIG 1 -1.988 -1.454 0.843 0.00 0.00 -0.326 N ATOM 9 H LIG 1 -1.930 -0.952 1.728 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.345 -1.749 0.397 0.00 0.00 +0.109 C BRANCH 10 11 ATOM 11 C LIG 1 -4.194 -0.470 0.232 0.00 0.00 +0.037 C ATOM 12 C LIG 1 -5.092 -0.621 -1.012 0.00 0.00 +0.133 C ATOM 13 C LIG 1 -6.381 0.199 -0.854 0.00 0.00 +0.116 C ATOM 14 N LIG 1 -7.218 -0.268 0.276 0.00 0.00 -0.292 NA ATOM 15 C LIG 1 -6.424 -0.754 1.417 0.00 0.00 +0.085 C ATOM 16 C LIG 1 -5.019 -0.159 1.495 0.00 0.00 +0.023 C BRANCH 12 17 ATOM 17 O LIG 1 -4.381 -0.183 -2.172 0.00 0.00 -0.390 OA ATOM 18 H LIG 1 -3.458 -0.503 -2.091 0.00 0.00 +0.210 HD ENDBRANCH 12 17 BRANCH 14 19 ATOM 19 C LIG 1 -8.163 0.801 0.696 0.00 0.00 +0.180 C BRANCH 19 20 ATOM 20 C LIG 1 -9.224 1.054 -0.379 0.00 0.00 +0.225 C ATOM 21 O LIG 1 -9.652 2.167 -0.671 0.00 0.00 -0.275 OA ATOM 22 N LIG 1 -9.724 -0.080 -0.966 0.00 0.00 -0.328 N ATOM 23 H LIG 1 -10.321 0.051 -1.770 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -9.135 -0.907 -0.930 0.00 0.00 +0.145 HD ENDBRANCH 19 20 ENDBRANCH 14 19 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 4 8 BRANCH 1 25 ATOM 25 N LIG 1 2.392 0.328 -0.309 0.00 0.00 -0.309 N BRANCH 25 27 ATOM 26 C LIG 1 3.289 0.516 1.981 0.00 0.00 +0.024 C ATOM 27 C LIG 1 2.512 1.206 0.869 0.00 0.00 +0.103 C ENDBRANCH 25 27 BRANCH 25 28 ATOM 28 C LIG 1 3.219 0.691 -1.473 0.00 0.00 +0.141 C BRANCH 28 29 ATOM 29 C LIG 1 4.698 0.546 -1.177 0.00 0.00 -0.030 A ATOM 30 C LIG 1 5.531 1.669 -1.090 0.00 0.00 +0.007 A ATOM 31 C LIG 1 6.897 1.520 -0.831 0.00 0.00 +0.028 A ATOM 32 C LIG 1 7.453 0.243 -0.657 0.00 0.00 +0.065 A ATOM 33 C LIG 1 6.624 -0.884 -0.739 0.00 0.00 +0.028 A ATOM 34 C LIG 1 5.258 -0.728 -0.997 0.00 0.00 +0.007 A BRANCH 32 35 ATOM 35 N LIG 1 8.849 0.117 -0.404 0.00 0.00 -0.240 N ATOM 36 N LIG 1 9.650 1.215 -0.336 0.00 0.00 -0.175 NA ATOM 37 C LIG 1 10.871 0.731 -0.100 0.00 0.00 +0.135 A ATOM 38 C LIG 1 10.888 -0.667 -0.010 0.00 0.00 +0.041 A ATOM 39 C LIG 1 9.579 -1.039 -0.203 0.00 0.00 +0.114 A ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 11