REMARK Name = BDB026323 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.835 1.048 -0.043 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.209 -0.221 0.050 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.186 -0.328 0.111 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.006 0.812 0.061 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.370 2.056 -0.049 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.098 3.182 -0.113 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.019 2.180 -0.099 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.857 3.561 1.942 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.736 2.340 1.614 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.782 2.575 0.588 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.451 3.861 0.693 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.412 2.108 -0.772 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.076 2.848 -1.940 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.876 2.040 -1.010 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.242 1.118 -0.047 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.849 1.098 1.309 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.475 0.691 0.121 0.00 0.00 -0.010 A ATOM 18 C LIG 1 3.241 1.492 0.981 0.00 0.00 +0.048 A ATOM 19 C LIG 1 4.634 1.369 1.040 0.00 0.00 +0.139 A ATOM 20 F LIG 1 5.282 2.162 1.905 0.00 0.00 -0.205 F ATOM 21 C LIG 1 5.314 0.445 0.247 0.00 0.00 +0.107 A ATOM 22 C LIG 1 4.554 -0.353 -0.609 0.00 0.00 +0.139 A ATOM 23 F LIG 1 5.139 -1.259 -1.409 0.00 0.00 -0.205 F ATOM 24 C LIG 1 3.162 -0.238 -0.674 0.00 0.00 +0.048 A BRANCH 21 25 ATOM 25 C LIG 1 6.795 0.346 0.325 0.00 0.00 +0.250 C ATOM 26 N LIG 1 7.386 -0.770 -0.240 0.00 0.00 -0.306 N ATOM 27 H LIG 1 6.819 -1.383 -0.817 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 7.457 1.226 0.862 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 8.829 -0.890 -0.328 0.00 0.00 +0.101 C ATOM 30 C LIG 1 9.321 -2.305 -0.616 0.00 0.00 +0.182 C ATOM 31 O LIG 1 10.513 -2.195 -1.411 0.00 0.00 -0.378 OA ATOM 32 C LIG 1 10.741 -0.806 -1.684 0.00 0.00 +0.162 C ATOM 33 C LIG 1 9.415 -0.110 -1.485 0.00 0.00 +0.052 C ENDBRANCH 26 29 ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 34 ATOM 34 N LIG 1 -2.076 -1.336 0.047 0.00 0.00 -0.280 N ATOM 35 H LIG 1 -3.053 -1.061 -0.033 0.00 0.00 +0.155 HD ATOM 36 C LIG 1 -1.750 -2.668 0.070 0.00 0.00 +0.250 C ATOM 37 O LIG 1 -0.636 -3.172 0.080 0.00 0.00 -0.270 OA BRANCH 36 38 ATOM 38 C LIG 1 -2.957 -3.539 0.045 0.00 0.00 +0.065 A ATOM 39 C LIG 1 -3.777 -3.804 1.221 0.00 0.00 +0.073 A ATOM 40 C LIG 1 -4.853 -4.607 1.103 0.00 0.00 +0.083 A ATOM 41 C LIG 1 -5.202 -5.217 -0.204 0.00 0.00 +0.249 A ATOM 42 O LIG 1 -6.184 -5.938 -0.325 0.00 0.00 -0.268 OA ATOM 43 N LIG 1 -4.360 -4.918 -1.246 0.00 0.00 -0.328 N ATOM 44 H LIG 1 -4.590 -5.348 -2.136 0.00 0.00 +0.168 HD ATOM 45 C LIG 1 -3.260 -4.104 -1.134 0.00 0.00 +0.099 A BRANCH 39 46 ATOM 46 C LIG 1 -3.378 -3.192 2.528 0.00 0.00 +0.418 C ATOM 47 F LIG 1 -2.101 -3.482 2.872 0.00 0.00 -0.166 F ATOM 48 F LIG 1 -4.161 -3.614 3.555 0.00 0.00 -0.166 F ATOM 49 F LIG 1 -3.491 -1.839 2.498 0.00 0.00 -0.166 F ENDBRANCH 39 46 ENDBRANCH 36 38 ENDBRANCH 2 34 TORSDOF 7