REMARK Name = BDB048231 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.187 -1.018 -0.415 0.00 0.00 +0.002 A ATOM 2 C LIG 1 -0.553 -0.907 0.775 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -1.720 -0.111 0.822 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -2.095 0.569 -0.338 0.00 0.00 +0.048 A ATOM 5 N LIG 1 -3.257 1.246 -0.063 0.00 0.00 -0.354 N ATOM 6 H LIG 1 -3.757 1.814 -0.730 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -3.655 1.028 1.231 0.00 0.00 +0.052 A ATOM 8 C LIG 1 -4.777 1.499 1.930 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -5.891 2.406 1.483 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -6.948 2.119 2.556 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -6.180 1.780 3.842 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -4.948 1.153 3.277 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -4.008 0.368 3.885 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -3.901 -0.107 5.262 0.00 0.00 +0.260 A ATOM 15 O LIG 1 -4.683 0.127 6.160 0.00 0.00 -0.267 OA ATOM 16 N LIG 1 -2.758 -0.842 5.322 0.00 0.00 -0.289 N ATOM 17 H LIG 1 -2.418 -1.278 6.165 0.00 0.00 +0.172 HD ATOM 18 C LIG 1 -2.104 -0.892 4.128 0.00 0.00 +0.260 A ATOM 19 O LIG 1 -1.059 -1.468 3.905 0.00 0.00 -0.267 OA ATOM 20 C LIG 1 -2.904 -0.111 3.185 0.00 0.00 +0.062 A ATOM 21 C LIG 1 -1.360 0.513 -1.527 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -2.692 0.198 1.831 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -0.219 -0.295 -1.543 0.00 0.00 +0.012 A ENDROOT BRANCH 1 27 ATOM 24 C LIG 1 3.272 -2.583 -1.397 0.00 0.00 +0.096 A ATOM 25 S LIG 1 3.006 -3.802 -0.215 0.00 0.00 -0.078 S ATOM 26 C LIG 1 1.548 -3.023 0.243 0.00 0.00 +0.075 A ATOM 27 C LIG 1 1.356 -1.885 -0.514 0.00 0.00 +0.078 A ATOM 28 N LIG 1 2.348 -1.641 -1.458 0.00 0.00 -0.242 NA BRANCH 24 29 ATOM 29 C LIG 1 4.483 -2.634 -2.278 0.00 0.00 +0.167 C BRANCH 29 31 ATOM 30 C LIG 1 6.036 -1.026 -3.305 0.00 0.00 +0.216 C ATOM 31 N LIG 1 4.893 -1.279 -2.585 0.00 0.00 -0.309 N ATOM 32 H LIG 1 4.275 -0.533 -2.280 0.00 0.00 +0.149 HD ATOM 33 O LIG 1 6.769 -1.925 -3.702 0.00 0.00 -0.276 OA BRANCH 30 35 ATOM 34 C LIG 1 7.654 0.645 -4.265 0.00 0.00 +0.017 C ATOM 35 C LIG 1 6.346 0.457 -3.497 0.00 0.00 +0.069 C ATOM 36 C LIG 1 5.214 1.194 -4.209 0.00 0.00 +0.017 C ENDBRANCH 30 35 ENDBRANCH 29 31 ENDBRANCH 24 29 ENDBRANCH 1 27 TORSDOF 4