REMARK Name = BDB034570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.056 1.124 -0.239 0.00 0.00 -0.280 N ATOM 2 H LIG 1 0.137 0.204 0.189 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -1.099 1.797 0.114 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -1.439 2.922 -0.232 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.203 0.904 -2.204 0.00 0.00 -0.032 A ATOM 6 C LIG 1 2.137 0.637 -1.315 0.00 0.00 +0.027 A ATOM 7 C LIG 1 1.067 1.524 -1.125 0.00 0.00 +0.034 A ATOM 8 C LIG 1 1.054 2.727 -1.823 0.00 0.00 +0.023 A ATOM 9 C LIG 1 2.091 3.033 -2.699 0.00 0.00 +0.002 A ATOM 10 C LIG 1 3.146 2.137 -2.882 0.00 0.00 +0.004 A BRANCH 5 11 ATOM 11 C LIG 1 4.448 -0.139 -2.405 0.00 0.00 +0.080 C ATOM 12 C LIG 1 4.093 -1.649 -2.462 0.00 0.00 +0.177 C ATOM 13 O LIG 1 4.257 -1.683 -3.896 0.00 0.00 -0.378 OA ATOM 14 C LIG 1 4.872 -0.375 -3.883 0.00 0.00 +0.177 C BRANCH 11 15 ATOM 15 C LIG 1 5.545 0.234 -1.400 0.00 0.00 +0.248 C ATOM 16 F LIG 1 4.981 0.160 -0.153 0.00 0.00 -0.236 F BRANCH 15 19 ATOM 17 C LIG 1 7.694 0.357 0.810 0.00 0.00 +0.151 C ATOM 18 N LIG 1 7.757 -0.448 -0.380 0.00 0.00 -0.318 N ATOM 19 C LIG 1 6.821 -0.540 -1.384 0.00 0.00 +0.168 A ATOM 20 N LIG 1 7.264 -1.407 -2.274 0.00 0.00 -0.132 NA ATOM 21 N LIG 1 8.498 -1.853 -1.873 0.00 0.00 -0.138 NA ATOM 22 C LIG 1 8.781 -1.269 -0.734 0.00 0.00 +0.224 A ENDBRANCH 15 19 ENDBRANCH 11 15 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 C LIG 1 -1.983 0.985 1.018 0.00 0.00 +0.126 A ATOM 24 N LIG 1 -1.507 -0.245 1.359 0.00 0.00 -0.247 NA ATOM 25 C LIG 1 -2.285 -1.030 2.142 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -3.529 -0.585 2.597 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -4.012 0.683 2.240 0.00 0.00 -0.029 A ATOM 28 C LIG 1 -3.203 1.490 1.437 0.00 0.00 +0.038 A BRANCH 25 29 ATOM 29 C LIG 1 -1.770 -2.398 2.529 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -2.464 -3.638 2.014 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -1.109 -3.272 1.486 0.00 0.00 +0.010 C ENDBRANCH 25 29 BRANCH 27 32 ATOM 32 C LIG 1 -5.351 1.174 2.740 0.00 0.00 +0.120 C BRANCH 32 33 ATOM 33 N LIG 1 -6.557 0.945 1.944 0.00 0.00 -0.292 NA ATOM 34 C LIG 1 -6.499 1.411 0.545 0.00 0.00 +0.126 C ATOM 35 C LIG 1 -7.320 0.148 0.148 0.00 0.00 +0.134 C ATOM 36 F LIG 1 -6.908 -0.482 -0.981 0.00 0.00 -0.240 F ATOM 37 C LIG 1 -8.827 0.337 0.084 0.00 0.00 +0.050 C ATOM 38 C LIG 1 -6.766 -0.439 1.480 0.00 0.00 +0.126 C ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 3 23 TORSDOF 8