REMARK Name = BDB037765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.115 -2.633 0.400 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.941 -1.555 0.748 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.582 -0.226 0.615 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.723 0.544 0.973 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.730 -0.281 1.302 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.771 0.200 0.159 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.776 -0.939 0.413 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.231 -1.531 1.232 0.00 0.00 -0.244 N ATOM 9 C LIG 1 1.217 -2.334 0.042 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.963 -3.174 -0.480 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.823 2.021 1.012 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.078 2.620 1.012 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.365 2.002 0.878 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.359 3.071 0.503 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.599 4.368 0.394 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.091 1.922 -0.430 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.207 4.085 1.010 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.809 2.722 1.029 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.120 4.633 2.381 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.079 5.080 3.452 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 6 21 ATOM 21 C LIG 1 0.621 0.639 -1.296 0.00 0.00 -0.037 A ATOM 22 C LIG 1 0.188 -0.215 -2.328 0.00 0.00 +0.007 A ATOM 23 C LIG 1 0.096 0.244 -3.644 0.00 0.00 +0.038 A ATOM 24 C LIG 1 0.440 1.555 -3.942 0.00 0.00 +0.123 A ATOM 25 F LIG 1 0.351 1.990 -5.206 0.00 0.00 -0.205 F ATOM 26 C LIG 1 0.875 2.420 -2.949 0.00 0.00 +0.038 A ATOM 27 C LIG 1 0.967 1.963 -1.633 0.00 0.00 +0.007 A ENDBRANCH 6 21 BRANCH 8 28 ATOM 28 C LIG 1 -3.074 -2.624 1.695 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -3.951 -2.289 2.905 0.00 0.00 +0.186 C ATOM 30 O LIG 1 -5.311 -2.151 2.454 0.00 0.00 -0.378 OA ATOM 31 C LIG 1 -5.315 -2.237 1.026 0.00 0.00 +0.162 C ATOM 32 C LIG 1 -4.092 -3.044 0.652 0.00 0.00 +0.057 C ENDBRANCH 8 28 BRANCH 7 33 ATOM 33 N LIG 1 3.065 -0.761 -0.261 0.00 0.00 -0.299 N ATOM 34 H LIG 1 3.395 -1.555 -0.801 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 3.936 0.238 0.098 0.00 0.00 +0.245 C ATOM 36 O LIG 1 3.690 1.052 0.980 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 5.237 0.277 -0.623 0.00 0.00 +0.037 A ATOM 38 C LIG 1 6.339 0.856 0.020 0.00 0.00 +0.025 A ATOM 39 C LIG 1 7.587 0.927 -0.621 0.00 0.00 +0.056 A ATOM 40 C LIG 1 7.713 0.404 -1.917 0.00 0.00 +0.012 A ATOM 41 C LIG 1 6.613 -0.157 -2.567 0.00 0.00 +0.001 A ATOM 42 C LIG 1 5.375 -0.217 -1.925 0.00 0.00 +0.013 A BRANCH 39 43 ATOM 43 C LIG 1 8.775 1.525 0.091 0.00 0.00 +0.417 C ATOM 44 F LIG 1 9.372 0.636 0.933 0.00 0.00 -0.166 F ATOM 45 F LIG 1 9.753 1.948 -0.758 0.00 0.00 -0.166 F ATOM 46 F LIG 1 8.453 2.606 0.853 0.00 0.00 -0.166 F ENDBRANCH 39 43 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 48 ATOM 47 C LIG 1 -0.102 -4.924 1.335 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -0.540 -4.015 0.196 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 8