REMARK Name = BDB058977 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.763 1.387 -0.233 0.00 0.00 -0.297 N ATOM 2 C LIG 1 -0.902 0.224 -0.535 0.00 0.00 +0.127 C ATOM 3 C LIG 1 0.485 0.685 -1.032 0.00 0.00 +0.127 C ATOM 4 N LIG 1 1.079 1.643 -0.092 0.00 0.00 -0.294 N ATOM 5 C LIG 1 1.944 1.277 0.938 0.00 0.00 +0.249 C ATOM 6 O LIG 1 2.144 1.957 1.940 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 0.234 2.820 0.122 0.00 0.00 +0.127 C ATOM 8 C LIG 1 -1.152 2.406 0.653 0.00 0.00 +0.127 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 2.700 0.027 0.793 0.00 0.00 +0.072 A ATOM 10 C LIG 1 2.300 -1.104 1.494 0.00 0.00 +0.135 A ATOM 11 F LIG 1 1.203 -1.083 2.265 0.00 0.00 -0.205 F ATOM 12 C LIG 1 3.016 -2.290 1.372 0.00 0.00 +0.039 A ATOM 13 C LIG 1 4.141 -2.339 0.544 0.00 0.00 +0.007 A ATOM 14 C LIG 1 4.554 -1.201 -0.171 0.00 0.00 -0.041 A ATOM 15 C LIG 1 3.829 -0.008 -0.034 0.00 0.00 +0.020 A BRANCH 14 16 ATOM 16 C LIG 1 5.789 -1.252 -1.043 0.00 0.00 +0.093 C BRANCH 16 17 ATOM 17 C LIG 1 7.106 -0.971 -0.326 0.00 0.00 +0.074 A ATOM 18 C LIG 1 8.360 -0.991 -1.125 0.00 0.00 +0.011 A ATOM 19 C LIG 1 9.552 -0.732 -0.453 0.00 0.00 +0.050 A ATOM 20 C LIG 1 10.773 -0.734 -1.139 0.00 0.00 +0.014 A ATOM 21 C LIG 1 10.798 -0.998 -2.507 0.00 0.00 +0.001 A ATOM 22 C LIG 1 9.609 -1.259 -3.186 0.00 0.00 +0.001 A ATOM 23 C LIG 1 9.517 -0.455 0.992 0.00 0.00 +0.272 A ATOM 24 O LIG 1 10.542 -0.222 1.623 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 8.276 -0.477 1.578 0.00 0.00 -0.242 N ATOM 26 H LIG 1 8.226 -0.282 2.574 0.00 0.00 +0.192 HD ATOM 27 C LIG 1 8.390 -1.257 -2.500 0.00 0.00 +0.010 A ATOM 28 N LIG 1 7.097 -0.727 0.951 0.00 0.00 -0.175 NA ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 5 9 BRANCH 1 31 ATOM 29 C LIG 1 -4.808 -0.391 0.096 0.00 0.00 +0.167 A ATOM 30 N LIG 1 -3.552 -0.131 -0.257 0.00 0.00 -0.194 NA ATOM 31 C LIG 1 -3.071 1.042 0.131 0.00 0.00 +0.223 A ATOM 32 N LIG 1 -3.800 1.924 0.810 0.00 0.00 -0.181 NA ATOM 33 C LIG 1 -5.050 1.598 1.124 0.00 0.00 +0.223 A ATOM 34 N LIG 1 -5.590 0.438 0.781 0.00 0.00 -0.194 NA BRANCH 29 39 ATOM 35 C LIG 1 -6.462 -4.225 -1.061 0.00 0.00 +0.060 A ATOM 36 C LIG 1 -7.199 -3.312 -0.301 0.00 0.00 +0.145 A ATOM 37 F LIG 1 -8.444 -3.632 0.090 0.00 0.00 -0.204 F ATOM 38 C LIG 1 -6.671 -2.082 0.088 0.00 0.00 +0.051 A ATOM 39 C LIG 1 -5.379 -1.693 -0.308 0.00 0.00 +0.022 A ATOM 40 C LIG 1 -4.662 -2.597 -1.118 0.00 0.00 +0.013 A ATOM 41 C LIG 1 -5.201 -3.833 -1.504 0.00 0.00 +0.026 A BRANCH 35 42 ATOM 42 N LIG 1 -7.048 -5.404 -1.548 0.00 0.00 -0.356 N ATOM 43 H LIG 1 -6.389 -6.151 -1.738 0.00 0.00 +0.142 HD ATOM 44 H LIG 1 -7.839 -5.706 -0.984 0.00 0.00 +0.142 HD ENDBRANCH 35 42 ENDBRANCH 29 39 BRANCH 33 45 ATOM 45 N LIG 1 -5.818 2.505 1.859 0.00 0.00 -0.295 N ATOM 46 C LIG 1 -5.385 3.911 1.769 0.00 0.00 +0.136 C ATOM 47 C LIG 1 -5.890 4.540 0.458 0.00 0.00 +0.179 C ATOM 48 O LIG 1 -7.320 4.422 0.338 0.00 0.00 -0.377 OA ATOM 49 C LIG 1 -7.729 3.042 0.387 0.00 0.00 +0.179 C ATOM 50 C LIG 1 -7.277 2.370 1.696 0.00 0.00 +0.136 C ENDBRANCH 33 45 ENDBRANCH 1 31 TORSDOF 7