REMARK Name = BDB037360 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.252 0.096 -2.226 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.073 0.098 -1.464 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.012 0.255 -0.088 0.00 0.00 +0.027 A ATOM 4 C LIG 1 0.348 0.027 0.249 0.00 0.00 +0.086 A ATOM 5 N LIG 1 1.052 -0.325 -0.842 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 -2.234 0.646 0.672 0.00 0.00 +0.083 C ATOM 7 C LIG 1 -3.504 0.133 -0.036 0.00 0.00 +0.172 C ATOM 8 N LIG 1 0.254 0.025 -1.885 0.00 0.00 -0.218 N ATOM 9 C LIG 1 -3.467 0.355 -1.560 0.00 0.00 +0.242 C ATOM 10 O LIG 1 -4.520 0.564 -2.171 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.122 0.244 2.133 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -2.290 1.232 3.123 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -2.236 0.905 4.480 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -2.021 -0.411 4.861 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -1.980 -0.725 6.162 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -1.855 -1.408 3.910 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -1.906 -1.083 2.553 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 0.874 0.458 -3.090 0.00 0.00 +0.067 A ATOM 19 C LIG 1 0.292 1.455 -3.885 0.00 0.00 +0.028 A ATOM 20 C LIG 1 0.943 1.896 -5.040 0.00 0.00 +0.002 A ATOM 21 C LIG 1 2.182 1.361 -5.394 0.00 0.00 +0.000 A ATOM 22 C LIG 1 2.781 0.395 -4.588 0.00 0.00 +0.002 A ATOM 23 C LIG 1 2.137 -0.050 -3.432 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 -3.762 -1.311 0.113 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -3.083 -1.951 -0.283 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -4.738 -1.942 0.835 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -4.692 -3.153 1.017 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -5.835 -1.152 1.420 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -6.730 -0.462 0.593 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -7.780 0.277 1.159 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -7.909 0.311 2.559 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -7.024 -0.397 3.376 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.989 -1.137 2.807 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -8.729 1.051 0.278 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -8.242 2.281 -0.044 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -9.942 1.271 0.859 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -8.991 0.428 -0.903 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -2.942 -1.768 -3.705 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -2.367 -0.357 -3.615 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 1.044 0.114 1.578 0.00 0.00 +0.162 C BRANCH 40 41 ATOM 41 N LIG 1 2.438 0.416 1.356 0.00 0.00 -0.299 N ATOM 42 H LIG 1 2.803 0.227 0.428 0.00 0.00 +0.150 HD ATOM 43 C LIG 1 3.292 0.659 2.389 0.00 0.00 +0.289 C ATOM 44 O LIG 1 2.961 0.753 3.563 0.00 0.00 -0.261 OA BRANCH 43 45 ATOM 45 C LIG 1 4.679 0.799 2.017 0.00 0.00 -0.007 C ATOM 46 C LIG 1 5.829 0.914 1.689 0.00 0.00 -0.077 C BRANCH 46 47 ATOM 47 C LIG 1 7.235 1.060 1.290 0.00 0.00 +0.174 C BRANCH 47 48 ATOM 48 N LIG 1 7.426 0.725 -0.128 0.00 0.00 -0.287 NA ATOM 49 C LIG 1 8.762 1.149 -0.603 0.00 0.00 +0.113 C ATOM 50 C LIG 1 9.915 0.265 -0.101 0.00 0.00 +0.175 C ATOM 51 O LIG 1 9.704 -1.110 -0.443 0.00 0.00 -0.377 OA ATOM 52 C LIG 1 8.459 -1.582 0.085 0.00 0.00 +0.175 C ATOM 53 C LIG 1 7.279 -0.723 -0.403 0.00 0.00 +0.113 C ENDBRANCH 47 48 ENDBRANCH 46 47 ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 11