REMARK Name = BDB033530 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.559 -0.295 -0.360 0.00 0.00 +0.048 A ATOM 2 C LIG 1 -1.998 -1.130 -1.331 0.00 0.00 +0.136 A ATOM 3 N LIG 1 -0.674 -1.391 -1.502 0.00 0.00 -0.238 NA ATOM 4 C LIG 1 0.192 -0.790 -0.664 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -0.248 0.092 0.310 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -1.620 0.335 0.459 0.00 0.00 +0.028 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -4.806 -1.313 -0.269 0.00 0.00 +0.087 C ATOM 8 N LIG 1 -3.938 -0.095 -0.255 0.00 0.00 -0.323 N ATOM 9 C LIG 1 -4.443 0.989 0.614 0.00 0.00 +0.121 C ATOM 10 C LIG 1 -5.934 1.302 0.329 0.00 0.00 +0.103 C ATOM 11 N LIG 1 -6.812 0.110 0.367 0.00 0.00 -0.299 NA ATOM 12 C LIG 1 -6.271 -0.887 -0.588 0.00 0.00 +0.106 C BRANCH 7 14 ATOM 13 C LIG 1 -5.384 -3.442 1.039 0.00 0.00 +0.006 C ATOM 14 C LIG 1 -4.680 -2.092 1.062 0.00 0.00 +0.020 C ENDBRANCH 7 14 BRANCH 11 15 ATOM 15 C LIG 1 -8.207 0.437 0.017 0.00 0.00 +0.089 C BRANCH 15 16 ATOM 16 C LIG 1 -8.929 1.235 1.116 0.00 0.00 +0.050 C BRANCH 16 17 ATOM 17 C LIG 1 -10.400 1.401 0.813 0.00 0.00 -0.043 A ATOM 18 C LIG 1 -11.311 0.399 1.166 0.00 0.00 +0.044 A ATOM 19 C LIG 1 -12.666 0.540 0.866 0.00 0.00 +0.145 A ATOM 20 F LIG 1 -13.502 -0.404 1.324 0.00 0.00 -0.204 F ATOM 21 C LIG 1 -13.153 1.675 0.204 0.00 0.00 +0.073 A ATOM 22 C LIG 1 -12.238 2.682 -0.134 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -10.875 2.543 0.159 0.00 0.00 +0.005 A BRANCH 21 24 ATOM 24 N LIG 1 -14.535 1.833 -0.120 0.00 0.00 -0.252 N ATOM 25 C LIG 1 -15.321 0.745 -0.499 0.00 0.00 +0.313 C ATOM 26 O LIG 1 -14.906 -0.353 -0.857 0.00 0.00 -0.252 OA ATOM 27 N LIG 1 -16.672 0.998 -0.555 0.00 0.00 -0.240 N ATOM 28 H LIG 1 -17.232 0.205 -0.836 0.00 0.00 +0.159 HD ATOM 29 C LIG 1 -17.227 2.219 -0.826 0.00 0.00 +0.222 C ATOM 30 O LIG 1 -18.377 2.324 -1.242 0.00 0.00 -0.275 OA ATOM 31 C LIG 1 -16.316 3.406 -0.682 0.00 0.00 +0.115 C ATOM 32 C LIG 1 -15.206 3.064 0.287 0.00 0.00 +0.124 C ENDBRANCH 21 24 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 1 8 BRANCH 4 33 ATOM 33 N LIG 1 1.537 -1.076 -0.899 0.00 0.00 -0.284 N ATOM 34 H LIG 1 1.554 -1.797 -1.611 0.00 0.00 +0.155 HD BRANCH 33 35 ATOM 35 C LIG 1 2.599 -1.181 0.019 0.00 0.00 +0.128 A ATOM 36 N LIG 1 2.405 -0.983 1.333 0.00 0.00 -0.221 NA ATOM 37 C LIG 1 3.476 -1.100 2.127 0.00 0.00 +0.223 A ATOM 38 N LIG 1 4.723 -1.381 1.735 0.00 0.00 -0.235 NA ATOM 39 C LIG 1 4.912 -1.547 0.410 0.00 0.00 +0.076 A ATOM 40 C LIG 1 3.860 -1.451 -0.485 0.00 0.00 +0.072 A BRANCH 39 41 ATOM 41 C LIG 1 6.295 -1.858 -0.010 0.00 0.00 +0.001 A ATOM 42 C LIG 1 7.139 -2.626 0.811 0.00 0.00 +0.013 A ATOM 43 C LIG 1 8.457 -2.962 0.441 0.00 0.00 -0.045 A ATOM 44 C LIG 1 9.280 -3.785 1.398 0.00 0.00 +0.044 C ATOM 45 C LIG 1 8.958 -2.538 -0.809 0.00 0.00 -0.025 A ATOM 46 C LIG 1 8.130 -1.738 -1.617 0.00 0.00 +0.006 A ATOM 47 C LIG 1 6.825 -1.409 -1.227 0.00 0.00 +0.010 A BRANCH 45 48 ATOM 48 C LIG 1 10.376 -2.873 -1.256 0.00 0.00 +0.101 C ATOM 49 C LIG 1 10.472 -3.277 -2.733 0.00 0.00 +0.033 C BRANCH 48 50 ATOM 50 N LIG 1 11.246 -1.750 -0.968 0.00 0.00 -0.301 N ATOM 51 H LIG 1 10.853 -0.816 -0.908 0.00 0.00 +0.150 HD ATOM 52 C LIG 1 12.614 -1.879 -0.809 0.00 0.00 +0.302 C ATOM 53 O LIG 1 13.177 -2.970 -0.873 0.00 0.00 -0.265 OA BRANCH 52 54 ATOM 54 C LIG 1 13.289 -0.620 -0.568 0.00 0.00 +0.313 A ATOM 55 O LIG 1 14.638 -0.602 -0.376 0.00 0.00 -0.328 OA ATOM 56 N LIG 1 14.990 0.736 -0.180 0.00 0.00 -0.060 NA ATOM 57 C LIG 1 13.819 1.385 -0.270 0.00 0.00 +0.178 A ATOM 58 N LIG 1 12.733 0.576 -0.516 0.00 0.00 -0.187 NA BRANCH 57 59 ATOM 59 C LIG 1 13.681 2.882 -0.139 0.00 0.00 +0.025 C ATOM 60 C LIG 1 15.009 3.559 0.256 0.00 0.00 +0.019 C ATOM 61 C LIG 1 12.634 3.215 0.943 0.00 0.00 +0.019 C ATOM 62 C LIG 1 13.216 3.474 -1.483 0.00 0.00 +0.019 C ENDBRANCH 57 59 ENDBRANCH 52 54 ENDBRANCH 48 50 ENDBRANCH 45 48 ENDBRANCH 39 41 ENDBRANCH 33 35 ENDBRANCH 4 33 TORSDOF 13