REMARK Name = BDB011504 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.301 -1.351 0.077 0.00 0.00 +0.153 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -3.898 0.007 -0.198 0.00 0.00 +0.197 C ATOM 3 C LIG 1 -2.728 -0.964 0.030 0.00 0.00 +0.244 C ATOM 4 O LIG 1 -2.951 -2.181 0.081 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 -1.442 -0.421 0.059 0.00 0.00 -0.262 N ATOM 6 C LIG 1 -1.210 0.989 0.039 0.00 0.00 +0.079 A ATOM 7 C LIG 1 -2.013 1.862 0.791 0.00 0.00 +0.142 A ATOM 8 C LIG 1 -1.775 3.236 0.806 0.00 0.00 +0.047 A ATOM 9 C LIG 1 -0.740 3.766 0.041 0.00 0.00 +0.004 A ATOM 10 C LIG 1 0.066 2.918 -0.716 0.00 0.00 +0.002 A ATOM 11 O LIG 1 -2.946 1.385 1.671 0.00 0.00 -0.488 OA ATOM 12 C LIG 1 -0.163 1.538 -0.711 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -4.122 0.909 1.016 0.00 0.00 +0.261 C BRANCH 2 15 ATOM 14 C LIG 1 -6.217 -0.242 -1.070 0.00 0.00 +0.230 C ATOM 15 N LIG 1 -5.091 -0.790 -0.512 0.00 0.00 -0.300 N ATOM 16 H LIG 1 -5.004 -1.792 -0.364 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 -6.310 0.971 -1.263 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 -7.381 -1.232 -1.344 0.00 0.00 +0.137 C ATOM 19 C LIG 1 -6.936 -2.514 -2.046 0.00 0.00 +0.034 C BRANCH 18 21 ATOM 20 C LIG 1 -8.244 -0.318 -3.470 0.00 0.00 +0.101 C ATOM 21 N LIG 1 -8.490 -0.539 -2.048 0.00 0.00 -0.309 NA ATOM 22 H LIG 1 -8.586 0.382 -1.607 0.00 0.00 +0.122 HD ENDBRANCH 18 21 ENDBRANCH 14 18 ENDBRANCH 2 15 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 C LIG 1 0.747 -1.069 1.150 0.00 0.00 +0.020 A ATOM 24 C LIG 1 2.124 -0.829 0.834 0.00 0.00 -0.010 A ATOM 25 C LIG 1 3.022 -0.540 1.894 0.00 0.00 -0.017 A ATOM 26 C LIG 1 4.378 -0.278 1.636 0.00 0.00 +0.021 A ATOM 27 C LIG 1 4.890 -0.310 0.337 0.00 0.00 +0.037 A ATOM 28 C LIG 1 4.031 -0.593 -0.721 0.00 0.00 +0.013 A ATOM 29 C LIG 1 2.568 -0.522 3.216 0.00 0.00 +0.012 A ATOM 30 C LIG 1 1.240 -0.796 3.522 0.00 0.00 +0.046 A ATOM 31 C LIG 1 2.677 -0.856 -0.472 0.00 0.00 +0.010 A ATOM 32 C LIG 1 0.330 -1.064 2.503 0.00 0.00 +0.125 A BRANCH 27 33 ATOM 33 C LIG 1 6.338 -0.014 0.141 0.00 0.00 +0.244 C ATOM 34 N LIG 1 6.924 -0.502 -1.012 0.00 0.00 -0.311 N ATOM 35 H LIG 1 6.437 -1.227 -1.523 0.00 0.00 +0.149 HD ATOM 36 O LIG 1 6.958 0.617 0.990 0.00 0.00 -0.270 OA BRANCH 34 37 ATOM 37 C LIG 1 8.361 -0.412 -1.221 0.00 0.00 +0.115 C BRANCH 37 38 ATOM 38 C LIG 1 8.835 1.018 -1.452 0.00 0.00 +0.139 C BRANCH 38 39 ATOM 39 C LIG 1 10.313 1.042 -1.740 0.00 0.00 +0.306 C ATOM 40 O LIG 1 10.957 0.094 -2.162 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 10.871 2.255 -1.525 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 10.248 2.921 -1.173 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 34 37 ENDBRANCH 27 33 BRANCH 32 43 ATOM 43 O LIG 1 -0.979 -1.393 2.752 0.00 0.00 -0.495 OA ATOM 44 C LIG 1 -1.569 -0.776 3.893 0.00 0.00 +0.277 C ENDBRANCH 32 43 ENDBRANCH 1 23 TORSDOF 11