REMARK Name = BDB026034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.359 1.325 0.670 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.914 -0.018 0.599 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.419 -0.312 0.295 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.351 0.714 0.050 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.890 2.037 0.127 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.726 3.059 -0.110 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.437 2.345 0.429 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.808 2.153 -1.276 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.920 2.294 -0.035 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.901 3.644 0.594 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -5.158 4.762 -0.309 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.642 3.881 1.340 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.018 2.611 1.957 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.729 1.570 0.938 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.499 1.732 -0.328 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.755 0.396 -0.273 0.00 0.00 -0.012 A ATOM 17 C LIG 1 3.818 1.043 0.371 0.00 0.00 +0.048 A ATOM 18 C LIG 1 5.146 0.731 0.064 0.00 0.00 +0.145 A ATOM 19 F LIG 1 6.101 1.369 0.761 0.00 0.00 -0.204 F ATOM 20 C LIG 1 5.483 -0.236 -0.896 0.00 0.00 +0.066 A ATOM 21 C LIG 1 4.414 -0.884 -1.534 0.00 0.00 +0.026 A ATOM 22 C LIG 1 3.080 -0.575 -1.232 0.00 0.00 +0.010 A BRANCH 20 23 ATOM 23 N LIG 1 6.792 -0.607 -1.252 0.00 0.00 -0.323 N ATOM 24 C LIG 1 7.885 0.376 -1.074 0.00 0.00 +0.133 C ATOM 25 C LIG 1 8.765 0.008 0.130 0.00 0.00 +0.178 C ATOM 26 O LIG 1 9.396 -1.280 0.001 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 8.656 -2.192 -0.827 0.00 0.00 +0.178 C ATOM 28 C LIG 1 7.136 -1.969 -0.771 0.00 0.00 +0.133 C ENDBRANCH 20 23 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -1.890 -0.996 0.881 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.786 -0.580 1.130 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.785 -2.359 0.785 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.829 -3.011 0.384 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.042 -3.066 1.173 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -3.740 -3.951 0.246 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -4.850 -4.596 0.655 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -5.362 -4.415 2.036 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -6.369 -4.992 2.423 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.636 -3.565 2.834 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -4.982 -3.453 3.781 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.501 -2.910 2.426 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -3.199 -4.084 -1.149 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -3.204 -2.876 -1.776 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -3.987 -4.894 -1.911 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6