REMARK Name = BDB025728 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.186 -0.853 0.557 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.536 0.350 0.197 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.853 0.385 0.041 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.635 -0.772 0.226 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.965 -1.955 0.578 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.651 -3.095 0.758 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.419 -2.004 0.742 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.217 0.133 1.859 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.572 -1.230 2.177 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.077 -2.381 1.378 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.479 -2.286 1.002 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.132 -2.813 0.315 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.742 -3.671 -0.801 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.308 -1.652 -0.313 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.596 -0.836 0.707 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.023 -1.096 2.102 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.100 -0.728 0.053 0.00 0.00 -0.015 A ATOM 18 C LIG 1 3.685 -0.104 -1.056 0.00 0.00 +0.010 A ATOM 19 C LIG 1 5.079 -0.056 -1.215 0.00 0.00 +0.024 A ATOM 20 C LIG 1 5.958 -0.624 -0.283 0.00 0.00 +0.030 A ATOM 21 C LIG 1 5.362 -1.247 0.821 0.00 0.00 +0.024 A ATOM 22 C LIG 1 3.968 -1.299 0.990 0.00 0.00 +0.010 A BRANCH 20 23 ATOM 23 N LIG 1 7.322 -0.575 -0.443 0.00 0.00 -0.330 N ATOM 24 C LIG 1 7.999 0.177 -1.497 0.00 0.00 +0.105 C ATOM 25 C LIG 1 9.465 0.168 -1.070 0.00 0.00 +0.020 C ATOM 26 C LIG 1 9.600 -1.155 -0.336 0.00 0.00 +0.020 C ATOM 27 C LIG 1 8.277 -1.266 0.418 0.00 0.00 +0.105 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 28 ATOM 28 N LIG 1 -1.386 1.461 0.018 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.362 1.211 0.175 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.051 2.746 -0.319 0.00 0.00 +0.250 C ATOM 31 O LIG 1 0.067 3.204 -0.512 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.241 3.640 -0.393 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.276 3.538 -1.416 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.310 4.404 -1.392 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -4.400 5.449 -0.342 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -5.344 6.226 -0.302 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -3.367 5.476 0.561 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -3.417 6.202 1.268 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -2.308 4.603 0.541 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -3.141 2.498 -2.484 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -3.333 1.251 -1.986 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.061 2.655 -3.472 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.927 2.515 -3.082 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6