REMARK Name = BDB025857 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.422 -1.040 1.377 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.817 -0.364 0.288 0.00 0.00 +0.055 A ATOM 3 C LIG 1 0.574 -0.328 0.157 0.00 0.00 +0.032 A ATOM 4 C LIG 1 1.394 -0.976 1.096 0.00 0.00 -0.007 A ATOM 5 C LIG 1 0.780 -1.636 2.168 0.00 0.00 +0.129 A ATOM 6 F LIG 1 1.532 -2.247 3.096 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.604 -1.672 2.316 0.00 0.00 +0.063 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.822 0.522 4.404 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.321 -0.617 3.502 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.454 -1.333 2.857 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.244 -2.105 3.819 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.009 -2.200 1.730 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.632 -1.641 0.442 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.468 -2.342 1.584 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.833 -1.014 1.479 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.322 -0.014 2.465 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.909 -0.943 0.990 0.00 0.00 +0.025 C ATOM 18 C LIG 1 3.438 -1.334 -0.406 0.00 0.00 +0.027 C ATOM 19 C LIG 1 4.158 -0.182 -1.105 0.00 0.00 +0.108 C ATOM 20 N LIG 1 5.250 0.332 -0.280 0.00 0.00 -0.301 N ATOM 21 C LIG 1 6.562 0.602 -0.656 0.00 0.00 +0.221 C ATOM 22 O LIG 1 7.372 0.947 0.216 0.00 0.00 -0.275 OA ATOM 23 C LIG 1 4.931 0.547 1.135 0.00 0.00 +0.108 C ATOM 24 C LIG 1 3.446 0.420 1.450 0.00 0.00 +0.027 C BRANCH 21 25 ATOM 25 C LIG 1 7.056 0.458 -2.124 0.00 0.00 +0.039 C ATOM 26 C LIG 1 6.249 1.324 -3.103 0.00 0.00 +0.020 C ATOM 27 C LIG 1 8.518 0.984 -2.185 0.00 0.00 +0.020 C ATOM 28 C LIG 1 7.112 -1.019 -2.551 0.00 0.00 +0.020 C ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.713 0.231 -0.623 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.681 0.102 -0.336 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.431 0.907 -1.784 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.333 1.163 -2.259 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.666 1.375 -2.478 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -2.950 2.792 -2.687 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -4.090 3.151 -3.312 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.041 2.120 -3.800 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -6.080 2.432 -4.364 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.678 0.815 -3.571 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -5.325 0.113 -3.914 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.522 0.442 -2.930 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -1.979 3.808 -2.163 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -0.841 3.868 -2.896 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.633 3.566 -0.874 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.508 5.062 -2.177 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6