REMARK Name = BDB005922 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.398 -1.215 0.150 0.00 0.00 +0.099 A ATOM 2 C LIG 1 -1.666 -0.047 0.397 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -2.100 0.877 1.351 0.00 0.00 +0.095 A ATOM 4 N LIG 1 -1.272 1.964 1.409 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 -0.336 1.743 0.522 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -3.249 0.642 2.102 0.00 0.00 +0.061 A ATOM 7 C LIG 1 -3.901 -0.542 1.828 0.00 0.00 +0.112 A ATOM 8 N LIG 1 -0.489 0.507 -0.076 0.00 0.00 -0.310 N ATOM 9 N LIG 1 -3.511 -1.448 0.896 0.00 0.00 -0.241 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 0.705 2.563 0.207 0.00 0.00 -0.293 N ATOM 11 C LIG 1 0.277 3.801 -0.492 0.00 0.00 +0.105 C ATOM 12 C LIG 1 1.378 4.867 -0.395 0.00 0.00 +0.139 C ATOM 13 C LIG 1 0.915 5.910 -1.398 0.00 0.00 +0.033 C ATOM 14 C LIG 1 0.284 5.089 -2.530 0.00 0.00 +0.004 C ATOM 15 O LIG 1 1.526 5.375 0.928 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 1.294 4.342 1.913 0.00 0.00 +0.179 C ATOM 17 C LIG 1 0.128 3.656 -1.998 0.00 0.00 +0.025 C ATOM 18 C LIG 1 1.557 2.909 1.394 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 1 22 ATOM 19 C LIG 1 -0.778 -5.774 -1.157 0.00 0.00 +0.045 C ATOM 20 C LIG 1 -1.296 -4.415 -1.505 0.00 0.00 -0.032 A ATOM 21 C LIG 1 -1.590 -3.475 -0.513 0.00 0.00 +0.016 A ATOM 22 C LIG 1 -2.096 -2.216 -0.857 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -2.333 -1.982 -2.209 0.00 0.00 +0.120 A ATOM 24 N LIG 1 -2.064 -2.866 -3.199 0.00 0.00 -0.262 NA ATOM 25 C LIG 1 -1.560 -4.062 -2.823 0.00 0.00 +0.114 A ENDBRANCH 1 22 BRANCH 7 26 ATOM 26 C LIG 1 -5.122 -0.899 2.569 0.00 0.00 +0.201 A ATOM 27 N LIG 1 -5.753 -2.043 2.272 0.00 0.00 -0.270 N ATOM 28 H LIG 1 -5.485 -2.714 1.571 0.00 0.00 +0.174 HD ATOM 29 C LIG 1 -6.815 -2.121 3.083 0.00 0.00 +0.440 A ATOM 30 O LIG 1 -7.634 -3.026 3.111 0.00 0.00 -0.221 OA ATOM 31 O LIG 1 -6.829 -1.006 3.886 0.00 0.00 -0.295 OA ATOM 32 N LIG 1 -5.688 -0.222 3.512 0.00 0.00 -0.053 NA ENDBRANCH 7 26 BRANCH 8 33 ATOM 33 C LIG 1 0.472 -0.066 -1.002 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 1.770 -0.571 -0.343 0.00 0.00 +0.009 C ATOM 35 C LIG 1 2.812 -0.910 -1.427 0.00 0.00 +0.005 C ATOM 36 C LIG 1 3.767 -2.042 -1.042 0.00 0.00 +0.003 C ATOM 37 C LIG 1 4.102 -2.081 0.452 0.00 0.00 -0.014 C ATOM 38 C LIG 1 4.982 -0.895 0.860 0.00 0.00 +0.007 C ATOM 39 C LIG 1 2.831 -2.166 1.316 0.00 0.00 +0.003 C ATOM 40 C LIG 1 1.545 -1.769 0.584 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 5