REMARK Name = BDB049656 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -3.474 0.851 -1.895 0.00 0.00 -0.252 OA ATOM 2 C LIG 1 -2.837 0.367 -0.963 0.00 0.00 +0.307 C ATOM 3 N LIG 1 -1.795 1.059 -0.328 0.00 0.00 -0.278 N ATOM 4 N LIG 1 -3.102 -0.876 -0.428 0.00 0.00 -0.269 N ATOM 5 H LIG 1 -2.935 -0.946 0.563 0.00 0.00 +0.156 HD ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -3.925 -1.875 -0.988 0.00 0.00 +0.038 A ATOM 7 C LIG 1 -4.330 -2.924 -0.149 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -5.130 -3.976 -0.632 0.00 0.00 +0.059 A ATOM 9 C LIG 1 -5.527 -3.961 -1.974 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -5.112 -2.927 -2.804 0.00 0.00 +0.126 A ATOM 11 F LIG 1 -5.484 -2.934 -4.091 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -4.314 -1.891 -2.328 0.00 0.00 +0.061 A BRANCH 8 13 ATOM 13 C LIG 1 -5.582 -5.080 0.289 0.00 0.00 +0.418 C ATOM 14 F LIG 1 -4.681 -5.346 1.276 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -5.791 -6.262 -0.352 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -6.750 -4.780 0.920 0.00 0.00 -0.166 F ENDBRANCH 8 13 ENDBRANCH 4 6 BRANCH 3 17 ATOM 17 C LIG 1 -0.707 0.378 0.423 0.00 0.00 +0.080 C ATOM 18 C LIG 1 0.346 -0.198 -0.534 0.00 0.00 +0.038 C ATOM 19 C LIG 1 1.440 -0.934 0.241 0.00 0.00 +0.086 C ATOM 20 N LIG 1 2.066 -0.051 1.241 0.00 0.00 -0.299 NA ATOM 21 C LIG 1 1.070 0.434 2.207 0.00 0.00 +0.086 C ATOM 22 C LIG 1 -0.026 1.231 1.499 0.00 0.00 +0.038 C BRANCH 20 23 ATOM 23 C LIG 1 3.167 -0.737 1.936 0.00 0.00 +0.111 C BRANCH 23 24 ATOM 24 C LIG 1 4.456 -0.842 1.162 0.00 0.00 -0.011 C ATOM 25 C LIG 1 4.779 -0.169 0.044 0.00 0.00 +0.005 C BRANCH 25 26 ATOM 26 C LIG 1 6.052 -0.318 -0.674 0.00 0.00 -0.025 A ATOM 27 C LIG 1 6.049 -0.253 -2.074 0.00 0.00 +0.008 A ATOM 28 C LIG 1 7.241 -0.363 -2.794 0.00 0.00 +0.001 A ATOM 29 C LIG 1 8.450 -0.528 -2.121 0.00 0.00 +0.000 A ATOM 30 C LIG 1 8.468 -0.577 -0.729 0.00 0.00 +0.001 A ATOM 31 C LIG 1 7.275 -0.468 -0.009 0.00 0.00 +0.008 A ENDBRANCH 25 26 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 3 17 BRANCH 3 32 ATOM 32 C LIG 1 -1.564 2.439 -0.786 0.00 0.00 +0.144 C BRANCH 32 33 ATOM 33 C LIG 1 -2.102 3.471 0.183 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -3.457 3.475 0.548 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -3.954 4.436 1.430 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.106 5.412 1.949 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -1.762 5.431 1.582 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -1.264 4.470 0.700 0.00 0.00 +0.005 A ENDBRANCH 32 33 ENDBRANCH 3 32 TORSDOF 8