REMARK Name = BDB025615 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.609 0.643 0.415 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.514 -0.519 -0.386 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.273 -1.122 -0.618 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.906 -0.598 -0.056 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.786 0.550 0.743 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.871 1.090 1.321 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.444 1.164 0.981 0.00 0.00 +0.064 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 -4.179 4.535 2.838 0.00 0.00 +0.105 C ATOM 9 N LIG 1 -4.433 3.226 2.241 0.00 0.00 -0.302 NA ATOM 10 C LIG 1 -3.560 2.197 2.849 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -3.426 0.920 1.991 0.00 0.00 +0.120 C ATOM 12 N LIG 1 -2.890 1.210 0.632 0.00 0.00 -0.326 N ATOM 13 C LIG 1 -2.996 2.631 0.224 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -4.302 3.255 0.767 0.00 0.00 +0.103 C ENDBRANCH 1 12 BRANCH 4 15 ATOM 15 C LIG 1 2.211 -1.243 -0.299 0.00 0.00 -0.015 A ATOM 16 C LIG 1 3.334 -0.492 -0.690 0.00 0.00 +0.013 A ATOM 17 C LIG 1 4.582 -1.095 -0.921 0.00 0.00 -0.033 A ATOM 18 C LIG 1 4.705 -2.480 -0.758 0.00 0.00 +0.005 A ATOM 19 C LIG 1 3.606 -3.244 -0.376 0.00 0.00 +0.001 A ATOM 20 C LIG 1 2.372 -2.631 -0.149 0.00 0.00 +0.008 A BRANCH 17 21 ATOM 21 C LIG 1 5.777 -0.262 -1.333 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 N LIG 1 6.858 -0.263 -0.336 0.00 0.00 -0.294 NA ATOM 23 C LIG 1 6.422 0.354 0.939 0.00 0.00 +0.113 C ATOM 24 C LIG 1 7.610 0.895 1.748 0.00 0.00 +0.175 C ATOM 25 O LIG 1 8.300 1.957 1.072 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 8.233 1.850 -0.356 0.00 0.00 +0.175 C ATOM 27 C LIG 1 8.074 0.403 -0.847 0.00 0.00 +0.113 C ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 4 15 BRANCH 2 28 ATOM 28 N LIG 1 -2.736 -0.995 -0.907 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -3.520 -0.414 -0.614 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -2.952 -2.085 -1.710 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -2.123 -2.854 -2.175 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -4.393 -2.263 -2.042 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -5.393 -2.725 -1.086 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -6.673 -2.858 -1.488 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -7.066 -2.541 -2.883 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -8.228 -2.646 -3.253 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -6.050 -2.132 -3.710 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -6.314 -1.933 -4.669 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -4.743 -1.999 -3.311 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -4.957 -3.071 0.304 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -5.954 -3.647 1.027 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.580 -1.966 0.996 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.917 -3.937 0.326 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 7