REMARK Name = BDB030991 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.969 1.408 1.008 0.00 0.00 +0.090 A ATOM 2 C LIG 1 -1.475 2.662 1.262 0.00 0.00 +0.099 A ATOM 3 C LIG 1 -2.784 2.834 0.875 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -3.527 1.881 0.281 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 -2.938 0.705 0.048 0.00 0.00 +0.216 A ATOM 6 N LIG 1 -1.681 0.432 0.399 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.831 -0.505 -0.602 0.00 0.00 +0.083 A ATOM 8 C LIG 1 3.720 -0.295 0.790 0.00 0.00 +0.165 A ATOM 9 C LIG 1 2.522 0.233 1.296 0.00 0.00 +0.091 A ATOM 10 C LIG 1 1.411 0.492 0.498 0.00 0.00 +0.013 A ATOM 11 C LIG 1 0.387 1.010 1.352 0.00 0.00 +0.026 A ATOM 12 C LIG 1 0.891 1.018 2.638 0.00 0.00 +0.093 A ATOM 13 C LIG 1 1.502 0.215 -0.879 0.00 0.00 +0.013 A ATOM 14 N LIG 1 2.184 0.569 2.587 0.00 0.00 -0.357 N ATOM 15 H LIG 1 2.820 0.487 3.369 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 2.705 -0.275 -1.409 0.00 0.00 +0.028 A BRANCH 7 18 ATOM 17 C LIG 1 6.278 -0.399 -0.850 0.00 0.00 +0.407 C ATOM 18 N LIG 1 5.049 -0.969 -1.201 0.00 0.00 -0.237 N ATOM 19 C LIG 1 4.961 -1.844 -2.363 0.00 0.00 +0.142 C ATOM 20 O LIG 1 6.448 0.552 -0.096 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 8.601 -0.448 -1.191 0.00 0.00 +0.282 C ATOM 22 O LIG 1 7.322 -1.003 -1.497 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 O LIG 1 4.714 -0.625 1.680 0.00 0.00 -0.491 OA ATOM 24 C LIG 1 4.706 -2.029 1.933 0.00 0.00 +0.277 C ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 25 ATOM 25 C LIG 1 -0.715 3.768 1.895 0.00 0.00 +0.421 C ATOM 26 F LIG 1 -1.352 4.972 1.782 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -0.535 3.591 3.233 0.00 0.00 -0.166 F ATOM 28 F LIG 1 0.519 3.971 1.362 0.00 0.00 -0.166 F ENDBRANCH 2 25 BRANCH 5 29 ATOM 29 N LIG 1 -3.616 -0.324 -0.584 0.00 0.00 -0.309 N ATOM 30 H LIG 1 -3.081 -1.163 -0.385 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -5.053 -0.402 -0.337 0.00 0.00 +0.087 C ATOM 32 C LIG 1 -5.512 -1.888 -0.336 0.00 0.00 +0.103 C ATOM 33 N LIG 1 -6.948 -2.116 -0.551 0.00 0.00 -0.314 NA ATOM 34 H LIG 1 -7.268 -2.891 0.029 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 -7.744 -0.923 -0.301 0.00 0.00 +0.081 C ATOM 36 C LIG 1 -7.340 0.215 -1.240 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -5.824 0.351 -1.425 0.00 0.00 +0.025 C ENDBRANCH 29 31 ENDBRANCH 5 29 TORSDOF 7