REMARK Name = BDB037344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.041 -1.612 -1.668 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.817 -0.943 -0.711 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.325 0.013 0.159 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.471 0.617 0.705 0.00 0.00 +0.093 A ATOM 5 N LIG 1 -3.600 0.063 0.253 0.00 0.00 -0.167 NA ATOM 6 C LIG 1 0.131 0.259 0.336 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.914 -0.959 -0.206 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -3.183 -1.028 -0.448 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.357 -1.460 -1.563 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.131 -1.775 -2.475 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.466 1.589 -0.331 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.121 1.906 -1.658 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.484 3.134 -2.217 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.202 4.050 -1.461 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.550 5.224 -2.002 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.568 3.762 -0.155 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.206 2.535 0.405 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -4.091 -2.107 -0.640 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -3.633 -3.426 -0.763 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -4.546 -4.472 -0.915 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.915 -4.211 -0.929 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.378 -2.905 -0.777 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -5.471 -1.855 -0.622 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.354 -0.729 -0.338 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.752 -0.902 -1.256 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.161 -0.574 0.761 0.00 0.00 +0.245 C ATOM 27 O LIG 1 2.732 -0.615 1.909 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.611 -0.372 0.502 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.525 -0.754 1.494 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.905 -0.572 1.305 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.355 -0.006 0.102 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.446 0.391 -0.881 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.076 0.214 -0.682 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.888 -1.014 2.361 0.00 0.00 +0.417 C ATOM 35 F LIG 1 7.388 -0.944 3.626 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.286 -2.306 2.185 0.00 0.00 -0.166 F ATOM 37 F LIG 1 9.030 -0.270 2.370 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 4 38 ATOM 38 C LIG 1 -2.465 1.825 1.743 0.00 0.00 +0.088 C ATOM 39 C LIG 1 -2.303 3.213 1.143 0.00 0.00 +0.035 C ATOM 40 C LIG 1 -3.640 2.793 1.656 0.00 0.00 +0.035 C BRANCH 38 41 ATOM 41 N LIG 1 -1.957 1.451 3.094 0.00 0.00 -0.261 N ATOM 42 C LIG 1 -2.943 0.768 3.950 0.00 0.00 +0.142 C BRANCH 41 43 ATOM 43 C LIG 1 -0.936 2.188 3.543 0.00 0.00 +0.170 C ATOM 44 N LIG 1 -0.058 2.833 3.936 0.00 0.00 -0.174 NA ENDBRANCH 41 43 ENDBRANCH 38 41 ENDBRANCH 4 38 BRANCH 1 46 ATOM 45 C LIG 1 -1.611 -0.965 -4.000 0.00 0.00 +0.025 C ATOM 46 C LIG 1 -1.561 -2.078 -2.960 0.00 0.00 +0.112 C ENDBRANCH 1 46 TORSDOF 9