REMARK Name = BDB046194 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 0.157 -0.267 2.746 0.00 0.00 +0.185 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.235 -0.152 2.334 0.00 0.00 -0.268 N ATOM 3 H LIG 1 -1.861 0.416 2.897 0.00 0.00 +0.153 HD ATOM 4 C LIG 1 -1.802 -0.954 1.399 0.00 0.00 +0.401 C ATOM 5 O LIG 1 -1.203 -1.786 0.735 0.00 0.00 -0.226 OA BRANCH 4 6 ATOM 6 O LIG 1 -3.124 -0.684 1.321 0.00 0.00 -0.449 OA BRANCH 6 7 ATOM 7 C LIG 1 -3.828 -1.451 0.327 0.00 0.00 +0.246 C BRANCH 7 8 ATOM 8 C LIG 1 -5.293 -1.004 0.287 0.00 0.00 +0.088 C ATOM 9 C LIG 1 -6.165 -1.944 -0.538 0.00 0.00 -0.029 A ATOM 10 C LIG 1 -6.767 -1.243 -1.605 0.00 0.00 -0.014 A ATOM 11 C LIG 1 -7.610 -1.896 -2.490 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -7.851 -3.260 -2.297 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -7.258 -3.952 -1.228 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -6.352 0.142 -1.552 0.00 0.00 -0.014 A ATOM 15 C LIG 1 -6.676 1.212 -2.370 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -6.133 2.466 -2.076 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -5.279 2.640 -0.974 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -4.951 1.562 -0.149 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -6.409 -3.294 -0.336 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -5.486 0.319 -0.451 0.00 0.00 -0.029 A ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 0.313 0.416 4.112 0.00 0.00 +0.325 C ATOM 22 O LIG 1 -0.593 1.032 4.663 0.00 0.00 -0.249 OA BRANCH 21 23 ATOM 23 OXT LIG 1 1.528 0.271 4.682 0.00 0.00 -0.479 OA ATOM 24 HXT LIG 1 2.191 -0.218 4.156 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 1 25 ATOM 25 C LIG 1 1.114 0.295 1.686 0.00 0.00 +0.035 C BRANCH 25 26 ATOM 26 C LIG 1 0.968 1.807 1.453 0.00 0.00 +0.026 C BRANCH 26 27 ATOM 27 C LIG 1 1.854 2.319 0.312 0.00 0.00 +0.145 C BRANCH 27 31 ATOM 28 C LIG 1 5.301 1.351 0.293 0.00 0.00 +0.113 A ATOM 29 N LIG 1 5.143 1.948 1.521 0.00 0.00 -0.130 NA ATOM 30 N LIG 1 3.891 2.371 1.624 0.00 0.00 -0.065 NA ATOM 31 N LIG 1 3.263 2.040 0.485 0.00 0.00 -0.251 N ATOM 32 C LIG 1 4.100 1.401 -0.381 0.00 0.00 +0.138 A BRANCH 28 37 ATOM 33 C LIG 1 10.312 -0.948 -1.443 0.00 0.00 +0.044 C ATOM 34 C LIG 1 9.015 -0.330 -1.012 0.00 0.00 -0.050 A ATOM 35 C LIG 1 8.915 0.323 0.220 0.00 0.00 +0.004 A ATOM 36 C LIG 1 7.697 0.871 0.634 0.00 0.00 +0.010 A ATOM 37 C LIG 1 6.552 0.772 -0.168 0.00 0.00 +0.004 A ATOM 38 C LIG 1 6.655 0.103 -1.395 0.00 0.00 +0.010 A ATOM 39 C LIG 1 7.873 -0.447 -1.811 0.00 0.00 +0.004 A ENDBRANCH 28 37 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 11