REMARK Name = BDB017371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.393 0.070 0.600 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.766 1.168 1.184 0.00 0.00 +0.063 A ATOM 3 C LIG 1 0.379 1.179 1.327 0.00 0.00 +0.146 A ATOM 4 F LIG 1 -0.209 2.248 1.887 0.00 0.00 -0.203 F ATOM 5 C LIG 1 -0.419 0.102 0.920 0.00 0.00 +0.067 A ATOM 6 C LIG 1 0.212 -0.982 0.305 0.00 0.00 +0.028 A ATOM 7 C LIG 1 1.605 -1.002 0.156 0.00 0.00 +0.025 A ENDROOT BRANCH 1 10 ATOM 8 O LIG 1 4.581 1.927 1.396 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 4.748 0.885 0.776 0.00 0.00 +0.249 C ATOM 10 N LIG 1 3.788 -0.036 0.407 0.00 0.00 -0.281 N ATOM 11 H LIG 1 4.098 -0.889 -0.045 0.00 0.00 +0.155 HD BRANCH 9 12 ATOM 12 C LIG 1 6.143 0.517 0.419 0.00 0.00 +0.049 A ATOM 13 C LIG 1 6.547 0.213 -0.895 0.00 0.00 +0.070 A ATOM 14 C LIG 1 7.895 -0.124 -1.120 0.00 0.00 +0.051 A ATOM 15 C LIG 1 8.806 -0.130 -0.068 0.00 0.00 +0.124 A ATOM 16 F LIG 1 10.084 -0.450 -0.307 0.00 0.00 -0.205 F ATOM 17 C LIG 1 8.412 0.197 1.222 0.00 0.00 +0.039 A ATOM 18 C LIG 1 7.080 0.526 1.467 0.00 0.00 +0.016 A BRANCH 13 19 ATOM 19 C LIG 1 5.584 0.241 -2.050 0.00 0.00 +0.418 C ATOM 20 F LIG 1 4.830 1.369 -2.102 0.00 0.00 -0.166 F ATOM 21 F LIG 1 4.712 -0.806 -1.994 0.00 0.00 -0.166 F ATOM 22 F LIG 1 6.193 0.144 -3.264 0.00 0.00 -0.166 F ENDBRANCH 13 19 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 5 23 ATOM 23 N LIG 1 -1.830 0.188 1.031 0.00 0.00 -0.312 N ATOM 24 H LIG 1 -2.073 0.971 1.643 0.00 0.00 +0.152 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.735 -0.885 1.247 0.00 0.00 +0.044 A ATOM 26 C LIG 1 -4.011 -0.928 0.640 0.00 0.00 +0.042 A ATOM 27 C LIG 1 -4.816 -2.020 1.006 0.00 0.00 +0.143 A ATOM 28 N LIG 1 -6.063 -2.193 0.427 0.00 0.00 -0.307 N ATOM 29 H LIG 1 -6.597 -2.995 0.724 0.00 0.00 +0.170 HD ATOM 30 C LIG 1 -6.591 -1.383 -0.521 0.00 0.00 +0.254 A ATOM 31 C LIG 1 -5.762 -0.214 -0.937 0.00 0.00 +0.021 A ATOM 32 C LIG 1 -6.372 0.631 -2.027 0.00 0.00 +0.041 C ATOM 33 C LIG 1 -5.369 1.571 -2.688 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -4.534 2.271 -1.631 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -3.769 1.260 -0.770 0.00 0.00 +0.036 C ATOM 36 O LIG 1 -7.697 -1.598 -1.007 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.488 -2.978 1.902 0.00 0.00 -0.237 NA ATOM 38 C LIG 1 -3.286 -2.872 2.488 0.00 0.00 +0.115 A ATOM 39 C LIG 1 -4.559 0.032 -0.371 0.00 0.00 -0.027 A ATOM 40 C LIG 1 -2.395 -1.859 2.204 0.00 0.00 +0.043 A ENDBRANCH 23 25 ENDBRANCH 5 23 TORSDOF 5