REMARK Name = BDB035423 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.521 0.809 0.721 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -2.077 -0.241 1.564 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -0.736 -0.666 1.576 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.147 -0.011 0.722 0.00 0.00 -0.006 A ATOM 5 C LIG 1 1.608 -0.235 0.506 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.964 0.753 -0.503 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.851 1.514 -0.879 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.734 2.428 -1.675 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.291 1.020 -0.099 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -1.605 1.452 -0.122 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 3.287 0.878 -1.014 0.00 0.00 +0.037 A ATOM 12 C LIG 1 4.327 0.058 -0.529 0.00 0.00 +0.028 A ATOM 13 C LIG 1 5.662 0.131 -0.996 0.00 0.00 -0.032 A ATOM 14 C LIG 1 5.911 1.086 -2.000 0.00 0.00 +0.005 A ATOM 15 C LIG 1 4.906 1.911 -2.498 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.606 1.806 -2.007 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 6.860 -0.797 -0.438 0.00 0.00 +0.058 C ATOM 18 C LIG 1 6.537 -2.068 0.422 0.00 0.00 +0.037 C ATOM 19 C LIG 1 6.495 -2.879 -0.896 0.00 0.00 +0.094 C ATOM 20 C LIG 1 7.458 -1.820 -1.480 0.00 0.00 +0.037 C BRANCH 17 21 ATOM 21 C LIG 1 7.967 0.103 0.241 0.00 0.00 +0.144 A ATOM 22 N LIG 1 7.827 0.932 1.321 0.00 0.00 -0.320 N ATOM 23 C LIG 1 6.644 1.184 2.096 0.00 0.00 +0.151 C ATOM 24 C LIG 1 9.047 1.500 1.520 0.00 0.00 +0.224 A ATOM 25 N LIG 1 9.891 1.052 0.620 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 9.210 0.175 -0.190 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 C LIG 1 7.002 -4.230 -0.817 0.00 0.00 +0.066 C ATOM 28 N LIG 1 7.390 -5.321 -0.741 0.00 0.00 -0.196 NA ENDBRANCH 19 27 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 -0.268 -1.789 2.461 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.780 -1.415 3.248 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.180 -2.855 1.742 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.220 -2.269 3.303 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 -3.977 1.236 0.741 0.00 0.00 +0.120 C BRANCH 33 35 ATOM 34 C LIG 1 -6.287 0.356 0.881 0.00 0.00 +0.074 C ATOM 35 N LIG 1 -4.890 0.140 0.411 0.00 0.00 -0.293 NA ATOM 36 C LIG 1 -4.811 -0.265 -1.004 0.00 0.00 +0.100 C ATOM 37 C LIG 1 -5.772 -1.414 -1.376 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -7.163 -1.136 -0.979 0.00 0.00 -0.303 NA ATOM 39 C LIG 1 -8.027 -2.268 -1.302 0.00 0.00 +0.105 C ATOM 40 C LIG 1 -7.191 -0.850 0.466 0.00 0.00 +0.103 C BRANCH 34 42 ATOM 41 C LIG 1 -7.150 2.158 -0.838 0.00 0.00 +0.009 C ATOM 42 C LIG 1 -6.928 1.766 0.622 0.00 0.00 +0.001 C ATOM 43 C LIG 1 -8.254 1.928 1.384 0.00 0.00 +0.009 C ENDBRANCH 34 42 ENDBRANCH 33 35 ENDBRANCH 1 33 TORSDOF 8