REMARK Name = BDB037777 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.763 -1.613 -1.758 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.437 -0.520 -1.179 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.859 0.411 -0.323 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.873 1.382 -0.097 0.00 0.00 +0.086 A ATOM 5 N LIG 1 -2.937 1.143 -0.879 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 0.537 0.208 0.179 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.356 -0.527 -0.897 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.773 -0.139 -1.290 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.609 -1.754 -1.472 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.240 -2.777 -1.766 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.143 1.551 0.551 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.498 1.794 1.893 0.00 0.00 +0.007 A ATOM 13 C LIG 1 2.081 3.004 2.270 0.00 0.00 +0.038 A ATOM 14 C LIG 1 2.323 3.977 1.310 0.00 0.00 +0.123 A ATOM 15 F LIG 1 2.883 5.138 1.673 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.990 3.764 -0.021 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.403 2.555 -0.402 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.947 -0.892 -1.549 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -5.052 -0.262 -2.139 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -6.227 -0.981 -2.362 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -6.313 -2.317 -1.972 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.231 -2.932 -1.343 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.052 -2.218 -1.120 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.662 -0.979 -0.401 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.689 -1.874 0.069 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.833 -0.382 -0.808 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.879 0.648 -1.470 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 5.092 -1.045 -0.381 0.00 0.00 +0.037 A ATOM 29 C LIG 1 6.197 -0.238 -0.081 0.00 0.00 +0.025 A ATOM 30 C LIG 1 7.413 -0.814 0.320 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.500 -2.212 0.419 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.405 -3.018 0.101 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.202 -2.438 -0.304 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 8.593 0.057 0.675 0.00 0.00 +0.417 C ATOM 35 F LIG 1 9.791 -0.555 0.457 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.591 0.415 1.989 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.636 1.219 -0.032 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.408 -3.960 -2.411 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.297 -2.491 -2.804 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -1.938 2.546 0.849 0.00 0.00 +0.166 C BRANCH 40 41 ATOM 41 N LIG 1 -2.910 2.244 1.887 0.00 0.00 -0.280 N ATOM 42 C LIG 1 -4.321 2.550 1.746 0.00 0.00 +0.180 C ATOM 43 C LIG 1 -4.979 1.514 2.654 0.00 0.00 +0.047 C ATOM 44 C LIG 1 -3.930 1.239 3.729 0.00 0.00 +0.099 C ATOM 45 C LIG 1 -2.638 1.446 2.982 0.00 0.00 +0.217 C ATOM 46 O LIG 1 -1.553 0.988 3.299 0.00 0.00 -0.276 OA BRANCH 42 47 ATOM 47 C LIG 1 -4.635 3.925 2.182 0.00 0.00 +0.085 C ATOM 48 N LIG 1 -4.888 5.003 2.531 0.00 0.00 -0.195 NA ENDBRANCH 42 47 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 9