REMARK Name = BDB056024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.044 0.774 -1.274 0.00 0.00 +0.094 A ATOM 2 N LIG 1 1.115 -0.034 -1.214 0.00 0.00 -0.172 NA ATOM 3 N LIG 1 2.159 0.757 -1.501 0.00 0.00 -0.263 N ATOM 4 H LIG 1 3.073 0.321 -1.544 0.00 0.00 +0.190 HD ATOM 5 C LIG 1 1.823 2.064 -1.719 0.00 0.00 +0.121 A ATOM 6 C LIG 1 0.451 2.097 -1.606 0.00 0.00 +0.073 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 -4.798 1.682 -0.389 0.00 0.00 +0.045 C ATOM 8 C LIG 1 -3.697 0.673 -0.592 0.00 0.00 -0.029 A ATOM 9 C LIG 1 -3.935 -0.718 -0.548 0.00 0.00 +0.038 A ATOM 10 C LIG 1 -2.859 -1.588 -0.740 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -1.567 -1.099 -0.973 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -1.314 0.275 -1.024 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -2.391 1.150 -0.829 0.00 0.00 +0.015 A BRANCH 9 14 ATOM 14 N LIG 1 -5.250 -1.176 -0.310 0.00 0.00 -0.269 N ATOM 15 H LIG 1 -5.964 -0.469 -0.176 0.00 0.00 +0.156 HD ATOM 16 C LIG 1 -5.715 -2.460 -0.235 0.00 0.00 +0.309 C ATOM 17 N LIG 1 -7.053 -2.614 0.013 0.00 0.00 -0.251 N ATOM 18 H LIG 1 -7.339 -3.582 0.057 0.00 0.00 +0.158 HD ATOM 19 O LIG 1 -5.052 -3.486 -0.368 0.00 0.00 -0.252 OA BRANCH 17 20 ATOM 20 C LIG 1 -8.022 -1.653 0.205 0.00 0.00 +0.169 A ATOM 21 N LIG 1 -7.814 -0.333 0.180 0.00 0.00 -0.063 NA ATOM 22 O LIG 1 -9.038 0.255 0.418 0.00 0.00 -0.357 OA ATOM 23 C LIG 1 -9.987 -0.709 0.585 0.00 0.00 +0.144 A ATOM 24 C LIG 1 -9.383 -1.939 0.457 0.00 0.00 +0.092 A BRANCH 23 25 ATOM 25 C LIG 1 -11.387 -0.232 0.856 0.00 0.00 +0.023 C ATOM 26 C LIG 1 -12.357 -1.420 0.993 0.00 0.00 +0.019 C ATOM 27 C LIG 1 -11.415 0.575 2.167 0.00 0.00 +0.019 C ATOM 28 C LIG 1 -11.867 0.660 -0.303 0.00 0.00 +0.019 C ENDBRANCH 23 25 ENDBRANCH 17 20 ENDBRANCH 9 14 ENDBRANCH 1 12 BRANCH 5 29 ATOM 29 N LIG 1 2.665 3.110 -2.041 0.00 0.00 -0.267 N ATOM 30 H LIG 1 2.232 3.963 -2.381 0.00 0.00 +0.157 HD ATOM 31 C LIG 1 4.040 3.138 -2.111 0.00 0.00 +0.249 C ATOM 32 O LIG 1 4.613 4.058 -2.691 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 4.859 2.103 -1.456 0.00 0.00 +0.037 A ATOM 34 C LIG 1 5.781 1.385 -2.220 0.00 0.00 +0.013 A ATOM 35 C LIG 1 6.554 0.395 -1.613 0.00 0.00 +0.005 A ATOM 36 C LIG 1 6.427 0.130 -0.239 0.00 0.00 -0.033 A ATOM 37 C LIG 1 5.516 0.879 0.521 0.00 0.00 +0.005 A ATOM 38 C LIG 1 4.740 1.871 -0.081 0.00 0.00 +0.013 A BRANCH 36 39 ATOM 39 C LIG 1 7.269 -0.950 0.412 0.00 0.00 +0.119 C BRANCH 39 40 ATOM 40 N LIG 1 8.714 -0.700 0.307 0.00 0.00 -0.296 NA ATOM 41 C LIG 1 9.106 0.522 1.048 0.00 0.00 +0.100 C ATOM 42 C LIG 1 10.579 0.499 1.507 0.00 0.00 +0.099 C ATOM 43 N LIG 1 10.842 -0.575 2.487 0.00 0.00 -0.303 NA ATOM 44 C LIG 1 12.269 -0.881 2.537 0.00 0.00 +0.105 C ATOM 45 C LIG 1 10.029 -1.774 2.206 0.00 0.00 +0.099 C ATOM 46 C LIG 1 9.501 -1.869 0.757 0.00 0.00 +0.100 C ENDBRANCH 39 40 ENDBRANCH 36 39 ENDBRANCH 31 33 ENDBRANCH 5 29 TORSDOF 8