REMARK Name = BDB058832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.770 -2.552 -3.525 0.00 0.00 +0.165 A ATOM 2 C LIG 1 3.317 -3.318 -4.584 0.00 0.00 +0.181 A ATOM 3 F LIG 1 4.161 -3.968 -5.398 0.00 0.00 -0.200 F ATOM 4 C LIG 1 1.962 -3.371 -4.779 0.00 0.00 +0.156 A ATOM 5 N LIG 1 1.081 -2.724 -3.995 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 1.581 -2.005 -2.977 0.00 0.00 +0.221 A ATOM 7 N LIG 1 2.898 -1.902 -2.729 0.00 0.00 -0.196 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 5.166 -2.510 -3.285 0.00 0.00 -0.281 N ATOM 9 H LIG 1 5.678 -2.615 -4.152 0.00 0.00 +0.155 HD BRANCH 8 14 ATOM 10 C LIG 1 7.553 -1.313 -0.985 0.00 0.00 +0.049 A ATOM 11 N LIG 1 6.380 -1.347 -0.278 0.00 0.00 -0.279 N ATOM 12 H LIG 1 6.233 -1.088 0.697 0.00 0.00 +0.189 HD ATOM 13 N LIG 1 5.337 -1.789 -0.988 0.00 0.00 -0.158 NA ATOM 14 C LIG 1 5.824 -2.033 -2.204 0.00 0.00 +0.146 A ATOM 15 C LIG 1 7.215 -1.763 -2.245 0.00 0.00 +0.068 A BRANCH 10 16 ATOM 16 C LIG 1 8.867 -0.866 -0.426 0.00 0.00 +0.175 C BRANCH 16 17 ATOM 17 C LIG 1 8.829 -0.462 1.037 0.00 0.00 +0.313 C ATOM 18 O LIG 1 7.842 -0.480 1.762 0.00 0.00 -0.250 OA BRANCH 17 19 ATOM 19 O LIG 1 10.076 -0.064 1.425 0.00 0.00 -0.464 OA BRANCH 19 20 ATOM 20 C LIG 1 10.203 0.368 2.788 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 C LIG 1 9.789 1.829 2.961 0.00 0.00 +0.041 C BRANCH 21 23 ATOM 22 C LIG 1 10.860 2.817 0.849 0.00 0.00 +0.004 C ATOM 23 C LIG 1 10.773 2.842 2.366 0.00 0.00 -0.000 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 10 16 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 N LIG 1 0.771 -1.295 -2.099 0.00 0.00 -0.284 N ATOM 25 H LIG 1 1.362 -0.872 -1.396 0.00 0.00 +0.155 HD BRANCH 24 26 ATOM 26 C LIG 1 -0.610 -1.144 -1.946 0.00 0.00 +0.034 A ATOM 27 C LIG 1 -1.082 -0.302 -0.924 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -2.451 -0.088 -0.722 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -3.385 -0.723 -1.544 0.00 0.00 +0.037 A ATOM 30 C LIG 1 -2.932 -1.543 -2.581 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -1.559 -1.750 -2.775 0.00 0.00 +0.024 A BRANCH 29 32 ATOM 32 C LIG 1 -4.853 -0.527 -1.382 0.00 0.00 +0.244 C ATOM 33 N LIG 1 -5.293 -0.301 -0.098 0.00 0.00 -0.308 N ATOM 34 H LIG 1 -4.633 -0.215 0.660 0.00 0.00 +0.149 HD ATOM 35 O LIG 1 -5.585 -0.598 -2.363 0.00 0.00 -0.270 OA BRANCH 33 36 ATOM 36 C LIG 1 -6.659 0.139 0.214 0.00 0.00 +0.077 C ATOM 37 C LIG 1 -6.739 1.665 0.131 0.00 0.00 +0.046 C ATOM 38 C LIG 1 -8.098 2.231 0.608 0.00 0.00 +0.047 C ATOM 39 C LIG 1 -7.988 3.792 0.650 0.00 0.00 +0.030 C ATOM 40 C LIG 1 -9.182 1.980 -0.473 0.00 0.00 +0.030 C ATOM 41 N LIG 1 -8.528 1.657 1.925 0.00 0.00 -0.143 NA ATOM 42 O LIG 1 -7.694 2.260 2.947 0.00 0.00 -0.118 OA ATOM 43 C LIG 1 -8.418 0.171 2.087 0.00 0.00 +0.047 C ATOM 44 C LIG 1 -8.623 -0.280 3.571 0.00 0.00 +0.030 C ATOM 45 C LIG 1 -9.571 -0.545 1.335 0.00 0.00 +0.030 C ATOM 46 C LIG 1 -7.053 -0.372 1.601 0.00 0.00 +0.046 C ENDBRANCH 33 36 ENDBRANCH 29 32 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 12