REMARK Name = BDB034347 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.638 -0.334 2.186 0.00 0.00 +0.038 A ATOM 2 C LIG 1 2.770 0.028 1.397 0.00 0.00 +0.021 A ATOM 3 C LIG 1 4.055 -0.151 1.957 0.00 0.00 +0.073 A ATOM 4 C LIG 1 5.176 0.212 1.219 0.00 0.00 +0.037 A ATOM 5 C LIG 1 5.098 0.741 -0.079 0.00 0.00 -0.016 A ATOM 6 C LIG 1 3.828 0.898 -0.639 0.00 0.00 +0.009 A ATOM 7 N LIG 1 4.253 -0.670 3.177 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 3.172 -1.056 3.877 0.00 0.00 +0.113 A ATOM 9 C LIG 1 2.685 0.546 0.083 0.00 0.00 +0.012 A ATOM 10 C LIG 1 1.871 -0.923 3.429 0.00 0.00 +0.043 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.312 1.103 -0.829 0.00 0.00 -0.018 A ATOM 12 C LIG 1 6.460 2.379 -1.394 0.00 0.00 +0.009 A ATOM 13 C LIG 1 7.613 2.725 -2.108 0.00 0.00 +0.013 A ATOM 14 C LIG 1 8.648 1.796 -2.283 0.00 0.00 +0.055 A ATOM 15 C LIG 1 8.511 0.522 -1.714 0.00 0.00 +0.013 A ATOM 16 C LIG 1 7.357 0.182 -1.000 0.00 0.00 +0.009 A BRANCH 14 17 ATOM 17 C LIG 1 9.901 2.171 -3.034 0.00 0.00 +0.417 C ATOM 18 F LIG 1 10.463 1.119 -3.694 0.00 0.00 -0.166 F ATOM 19 F LIG 1 9.693 3.131 -3.978 0.00 0.00 -0.166 F ATOM 20 F LIG 1 10.872 2.659 -2.213 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 5 11 BRANCH 1 21 ATOM 21 N LIG 1 0.338 -0.190 1.658 0.00 0.00 -0.343 N ATOM 22 H LIG 1 0.264 0.678 1.131 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 -0.836 -0.438 2.488 0.00 0.00 +0.103 C BRANCH 23 24 ATOM 24 C LIG 1 -2.118 -0.207 1.683 0.00 0.00 +0.034 C BRANCH 24 25 ATOM 25 C LIG 1 -2.295 -1.246 0.570 0.00 0.00 +0.083 C BRANCH 25 26 ATOM 26 N LIG 1 -3.520 -1.051 -0.209 0.00 0.00 -0.312 NA ATOM 27 H LIG 1 -3.660 -0.059 -0.401 0.00 0.00 +0.122 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.712 -1.562 0.474 0.00 0.00 +0.120 C BRANCH 28 31 ATOM 29 C LIG 1 -8.140 -0.306 -0.732 0.00 0.00 +0.162 A ATOM 30 C LIG 1 -6.991 -0.502 0.052 0.00 0.00 +0.163 A ATOM 31 C LIG 1 -5.949 -1.337 -0.363 0.00 0.00 +0.011 A ATOM 32 C LIG 1 -6.079 -1.984 -1.602 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -7.215 -1.797 -2.391 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -8.247 -0.961 -1.958 0.00 0.00 +0.049 A BRANCH 29 36 ATOM 35 C LIG 1 -10.243 0.781 -0.958 0.00 0.00 +0.277 C ATOM 36 O LIG 1 -9.070 0.545 -0.187 0.00 0.00 -0.491 OA ENDBRANCH 29 36 BRANCH 30 37 ATOM 37 O LIG 1 -6.898 0.151 1.256 0.00 0.00 -0.503 OA ATOM 38 H LIG 1 -7.733 0.655 1.329 0.00 0.00 +0.292 HD ENDBRANCH 30 37 ENDBRANCH 28 31 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 11