REMARK Name = BDB025855 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.046 -0.854 -0.573 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.448 0.404 -0.329 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.058 0.535 -0.289 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.777 -0.578 -0.498 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.164 -1.819 -0.728 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.903 -2.922 -0.931 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.223 -1.963 -0.766 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.617 -3.222 -2.063 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.512 -1.701 -1.876 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.222 -1.198 -0.688 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -7.665 -1.345 -0.720 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.559 -1.482 0.606 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.191 -2.607 1.439 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -4.024 -1.742 0.494 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.457 -0.927 -0.593 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -4.016 -1.241 -1.930 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.251 -0.432 -0.428 0.00 0.00 -0.039 C ATOM 18 C LIG 1 3.057 -1.525 0.234 0.00 0.00 +0.051 C ATOM 19 C LIG 1 4.460 -1.045 0.648 0.00 0.00 +0.089 C ATOM 20 N LIG 1 5.121 -0.374 -0.479 0.00 0.00 -0.295 NA ATOM 21 C LIG 1 4.380 0.837 -0.861 0.00 0.00 +0.112 C ATOM 22 C LIG 1 2.888 0.646 -0.926 0.00 0.00 -0.007 C BRANCH 20 23 ATOM 23 C LIG 1 6.559 -0.097 -0.281 0.00 0.00 +0.059 C ATOM 24 C LIG 1 7.395 -1.366 -0.556 0.00 0.00 +0.034 C ATOM 25 C LIG 1 8.763 -1.341 0.136 0.00 0.00 +0.085 C ATOM 26 N LIG 1 9.278 0.024 0.221 0.00 0.00 -0.305 NA ATOM 27 C LIG 1 10.677 0.051 0.639 0.00 0.00 +0.104 C ATOM 28 C LIG 1 8.449 0.868 1.094 0.00 0.00 +0.085 C ATOM 29 C LIG 1 6.956 0.505 1.074 0.00 0.00 +0.034 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -2.357 1.462 -0.116 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.323 1.135 -0.162 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.088 2.784 0.114 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.998 3.340 0.120 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.330 3.581 0.328 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -4.195 3.438 1.495 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.295 4.211 1.594 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.628 5.196 0.534 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.634 5.889 0.609 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.743 5.269 -0.511 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.962 5.951 -1.228 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.617 4.490 -0.617 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.808 2.472 2.571 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -4.575 2.611 3.685 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.524 2.622 2.971 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.961 1.185 2.169 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6