REMARK Name = BDB020534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.698 -0.764 0.741 0.00 0.00 +0.114 A ATOM 2 N LIG 1 1.778 -1.772 -0.192 0.00 0.00 -0.318 N ATOM 3 C LIG 1 2.904 -2.275 -0.961 0.00 0.00 +0.171 C ATOM 4 C LIG 1 2.462 -2.669 -2.373 0.00 0.00 +0.238 C ATOM 5 N LIG 1 1.136 -3.063 -2.538 0.00 0.00 -0.297 N ATOM 6 C LIG 1 0.267 -3.322 -1.397 0.00 0.00 +0.163 C ATOM 7 C LIG 1 0.715 -3.600 -3.820 0.00 0.00 +0.132 C ATOM 8 O LIG 1 3.276 -2.668 -3.298 0.00 0.00 -0.273 OA ATOM 9 C LIG 1 3.546 -3.487 -0.288 0.00 0.00 +0.041 C ATOM 10 C LIG 1 0.517 -2.292 -0.370 0.00 0.00 +0.064 A ATOM 11 C LIG 1 -0.272 -1.641 0.548 0.00 0.00 +0.094 A ATOM 12 N LIG 1 0.463 -0.693 1.212 0.00 0.00 -0.232 NA ENDROOT BRANCH 11 13 ATOM 13 C LIG 1 -1.686 -1.870 0.780 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -2.645 -0.824 0.653 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -4.004 -1.105 0.880 0.00 0.00 +0.072 A ATOM 16 N LIG 1 -4.968 -0.180 0.763 0.00 0.00 -0.246 NA ATOM 17 C LIG 1 -4.644 1.092 0.411 0.00 0.00 +0.083 A ATOM 18 C LIG 1 -3.333 1.498 0.202 0.00 0.00 +0.044 A ATOM 19 C LIG 1 -4.377 -2.394 1.233 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.445 -3.421 1.373 0.00 0.00 +0.003 A ATOM 21 C LIG 1 -2.340 0.510 0.305 0.00 0.00 +0.022 A ATOM 22 C LIG 1 -2.100 -3.159 1.147 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 -5.805 1.952 0.291 0.00 0.00 +0.038 A ATOM 24 C LIG 1 -6.071 2.840 -0.732 0.00 0.00 +0.118 A ATOM 25 N LIG 1 -7.287 3.392 -0.452 0.00 0.00 -0.274 N ATOM 26 C LIG 1 -7.980 4.399 -1.218 0.00 0.00 +0.172 C ATOM 27 N LIG 1 -7.862 2.894 0.657 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 -6.968 2.001 1.094 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 -2.932 2.903 -0.122 0.00 0.00 +0.374 C ATOM 30 F LIG 1 -3.097 3.211 -1.439 0.00 0.00 -0.204 F ATOM 31 F LIG 1 -3.602 3.857 0.582 0.00 0.00 -0.204 F ENDBRANCH 18 29 ENDBRANCH 11 13 BRANCH 1 37 ATOM 32 C LIG 1 6.837 3.308 0.321 0.00 0.00 +0.109 C ATOM 33 C LIG 1 6.579 2.160 1.264 0.00 0.00 +0.212 C ATOM 34 N LIG 1 5.317 1.566 1.219 0.00 0.00 -0.302 N ATOM 35 C LIG 1 4.157 2.215 0.605 0.00 0.00 +0.108 C ATOM 36 C LIG 1 3.137 1.203 0.090 0.00 0.00 +0.030 C ATOM 37 C LIG 1 2.781 0.185 1.177 0.00 0.00 +0.058 C ATOM 38 C LIG 1 4.036 -0.490 1.725 0.00 0.00 +0.030 C ATOM 39 C LIG 1 5.024 0.554 2.234 0.00 0.00 +0.108 C ATOM 40 O LIG 1 7.470 1.772 2.020 0.00 0.00 -0.276 OA ENDBRANCH 1 37 TORSDOF 4