REMARK Name = BDB037320 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.649 -1.830 2.054 0.00 0.00 -0.254 N ATOM 2 C LIG 1 0.513 -1.002 2.075 0.00 0.00 +0.135 A ATOM 3 C LIG 1 0.390 0.177 1.366 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -0.703 0.855 1.952 0.00 0.00 +0.086 A ATOM 5 N LIG 1 -1.275 0.103 2.907 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 1.376 0.599 0.339 0.00 0.00 +0.083 C ATOM 7 C LIG 1 2.760 0.072 0.758 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -0.690 -1.121 2.770 0.00 0.00 -0.218 N ATOM 9 C LIG 1 2.760 -1.381 1.308 0.00 0.00 +0.242 C ATOM 10 O LIG 1 3.777 -2.072 1.158 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.800 0.109 -0.989 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.099 1.026 -1.797 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.463 0.637 -3.015 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.323 -0.674 -3.443 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.858 -1.052 -4.611 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.367 -1.602 -2.675 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.925 -1.214 -1.452 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -1.411 -2.266 3.190 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.303 -2.166 4.267 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.039 -3.282 4.669 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -2.907 -4.490 3.984 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -2.054 -4.580 2.885 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -1.313 -3.467 2.481 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 3.786 0.192 -0.282 0.00 0.00 -0.299 N ATOM 25 H LIG 1 4.384 -0.620 -0.401 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 4.246 1.427 -0.678 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.791 2.477 -0.236 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 5.364 1.440 -1.660 0.00 0.00 +0.037 A ATOM 29 C LIG 1 6.188 2.574 -1.716 0.00 0.00 +0.025 A ATOM 30 C LIG 1 7.248 2.645 -2.635 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.456 1.570 -3.514 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.628 0.447 -3.471 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.582 0.380 -2.549 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 8.113 3.880 -2.704 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.332 4.446 -1.485 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.562 4.854 -3.476 0.00 0.00 -0.166 F ATOM 37 F LIG 1 9.346 3.640 -3.228 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 2.047 -4.305 2.217 0.00 0.00 +0.025 C ATOM 39 C LIG 1 1.880 -2.973 2.941 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -1.221 2.233 1.673 0.00 0.00 +0.162 C BRANCH 40 41 ATOM 41 N LIG 1 -2.620 2.126 1.331 0.00 0.00 -0.306 N ATOM 42 H LIG 1 -3.180 1.553 1.950 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 -3.098 2.456 0.091 0.00 0.00 +0.241 C ATOM 44 O LIG 1 -2.418 2.962 -0.793 0.00 0.00 -0.271 OA BRANCH 43 45 ATOM 45 C LIG 1 -4.520 2.074 -0.141 0.00 0.00 +0.024 C ATOM 46 C LIG 1 -4.845 1.577 -1.530 0.00 0.00 +0.124 C ATOM 47 N LIG 1 -6.296 1.528 -1.824 0.00 0.00 -0.301 NA ATOM 48 C LIG 1 -6.543 0.793 -3.062 0.00 0.00 +0.105 C ATOM 49 C LIG 1 -7.036 0.939 -0.699 0.00 0.00 +0.088 C ATOM 50 C LIG 1 -6.876 1.796 0.571 0.00 0.00 +0.043 C ATOM 51 C LIG 1 -5.452 2.206 0.821 0.00 0.00 -0.016 C ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 9