REMARK Name = BDB053527 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.474 0.515 1.265 0.00 0.00 +0.151 A ATOM 2 C LIG 1 4.053 -0.758 0.794 0.00 0.00 +0.012 A ATOM 3 C LIG 1 4.795 -1.998 0.425 0.00 0.00 +0.044 C ATOM 4 C LIG 1 3.899 -3.252 0.590 0.00 0.00 +0.043 C ATOM 5 C LIG 1 2.466 -3.041 0.166 0.00 0.00 -0.001 A ATOM 6 C LIG 1 1.849 -1.801 0.259 0.00 0.00 +0.097 A ATOM 7 N LIG 1 0.574 -1.555 -0.079 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -0.139 -2.606 -0.514 0.00 0.00 +0.220 A ATOM 9 N LIG 1 0.357 -3.857 -0.598 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 1.644 -4.051 -0.255 0.00 0.00 +0.120 A ATOM 11 C LIG 1 2.674 -0.691 0.704 0.00 0.00 +0.091 A ATOM 12 N LIG 1 2.333 0.547 1.161 0.00 0.00 -0.264 N ATOM 13 C LIG 1 1.015 1.101 1.349 0.00 0.00 +0.173 C ATOM 14 N LIG 1 3.405 1.303 1.485 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 17 ATOM 15 N LIG 1 6.723 0.566 0.483 0.00 0.00 -0.280 N ATOM 16 H LIG 1 6.245 0.437 -0.398 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 5.854 1.000 1.481 0.00 0.00 +0.269 C ATOM 18 O LIG 1 6.156 1.744 2.409 0.00 0.00 -0.268 OA BRANCH 15 20 ATOM 19 C LIG 1 8.512 1.604 -0.792 0.00 0.00 -0.026 A ATOM 20 C LIG 1 8.072 0.983 0.403 0.00 0.00 +0.040 A ATOM 21 C LIG 1 8.991 0.728 1.446 0.00 0.00 -0.026 A ATOM 22 C LIG 1 10.323 1.160 1.298 0.00 0.00 +0.005 A ATOM 23 C LIG 1 10.749 1.800 0.139 0.00 0.00 +0.001 A ATOM 24 C LIG 1 9.854 2.008 -0.904 0.00 0.00 +0.005 A BRANCH 19 26 ATOM 25 C LIG 1 7.512 0.701 -2.919 0.00 0.00 +0.009 C ATOM 26 C LIG 1 7.599 1.886 -1.967 0.00 0.00 +0.033 C ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 C LIG 1 8.682 -0.117 2.665 0.00 0.00 +0.033 C ATOM 28 C LIG 1 8.883 -1.599 2.380 0.00 0.00 +0.009 C ENDBRANCH 21 27 ENDBRANCH 15 20 ENDBRANCH 1 17 BRANCH 8 29 ATOM 29 N LIG 1 -1.463 -2.491 -0.914 0.00 0.00 -0.281 N ATOM 30 H LIG 1 -1.832 -3.398 -1.173 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.360 -1.431 -1.109 0.00 0.00 +0.076 A ATOM 32 C LIG 1 -3.686 -1.739 -1.509 0.00 0.00 +0.142 A ATOM 33 C LIG 1 -4.628 -0.722 -1.691 0.00 0.00 +0.060 A ATOM 34 C LIG 1 -4.263 0.607 -1.458 0.00 0.00 +0.040 A ATOM 35 C LIG 1 -2.954 0.929 -1.103 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -2.014 -0.089 -0.925 0.00 0.00 +0.028 A BRANCH 34 37 ATOM 37 C LIG 1 -5.238 1.703 -1.655 0.00 0.00 +0.247 C ATOM 38 N LIG 1 -6.433 1.681 -0.929 0.00 0.00 -0.297 N ATOM 39 C LIG 1 -7.352 2.793 -1.112 0.00 0.00 +0.109 C ATOM 40 C LIG 1 -8.814 2.367 -0.982 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -9.070 1.262 0.072 0.00 0.00 +0.059 C ATOM 42 C LIG 1 -7.888 1.221 1.058 0.00 0.00 +0.038 C ATOM 43 C LIG 1 -6.589 0.915 0.308 0.00 0.00 +0.109 C ATOM 44 O LIG 1 -4.940 2.586 -2.456 0.00 0.00 -0.270 OA BRANCH 41 45 ATOM 45 N LIG 1 -10.399 1.448 0.712 0.00 0.00 -0.305 NA ATOM 46 C LIG 1 -11.489 1.330 -0.268 0.00 0.00 +0.104 C ATOM 47 C LIG 1 -10.648 0.500 1.804 0.00 0.00 +0.104 C ENDBRANCH 41 45 ENDBRANCH 34 37 BRANCH 32 48 ATOM 48 O LIG 1 -3.946 -3.081 -1.682 0.00 0.00 -0.493 OA ATOM 49 C LIG 1 -5.170 -3.423 -2.323 0.00 0.00 +0.277 C ENDBRANCH 32 48 ENDBRANCH 29 31 ENDBRANCH 8 29 TORSDOF 9