REMARK Name = BDB008268 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.108 -0.598 0.351 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.071 -1.041 -0.114 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.948 -0.159 -0.624 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.679 1.203 -0.672 0.00 0.00 +0.052 A ATOM 5 C LIG 1 0.552 1.671 -0.210 0.00 0.00 -0.011 A ATOM 6 C LIG 1 1.463 0.743 0.300 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 0.880 3.108 -0.252 0.00 0.00 -0.006 A ATOM 8 C LIG 1 0.572 3.958 0.859 0.00 0.00 +0.008 A ATOM 9 C LIG 1 0.897 5.332 0.807 0.00 0.00 +0.072 A ATOM 10 N LIG 1 0.641 6.190 1.811 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 0.041 5.714 2.922 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -0.323 4.396 3.087 0.00 0.00 +0.020 A ATOM 13 C LIG 1 1.510 5.831 -0.328 0.00 0.00 +0.028 A ATOM 14 C LIG 1 1.815 5.019 -1.419 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -0.055 3.514 2.046 0.00 0.00 +0.012 A ATOM 16 C LIG 1 1.507 3.656 -1.397 0.00 0.00 -0.042 A ATOM 17 C LIG 1 1.852 2.814 -2.598 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 1.815 -2.802 1.227 0.00 0.00 +0.235 C ATOM 19 N LIG 1 2.056 -1.484 0.880 0.00 0.00 -0.269 N ATOM 20 H LIG 1 2.970 -1.109 1.079 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 0.723 -3.358 1.302 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 3.115 -3.552 1.608 0.00 0.00 +0.137 C ATOM 23 C LIG 1 3.466 -3.235 3.060 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 2.944 -5.421 0.066 0.00 0.00 +0.101 C ATOM 25 N LIG 1 2.945 -5.015 1.469 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 2.017 -5.238 1.851 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 -2.183 -0.571 -1.127 0.00 0.00 -0.265 N ATOM 28 H LIG 1 -2.851 0.134 -1.419 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 -2.610 -1.869 -1.305 0.00 0.00 +0.268 C ATOM 30 O LIG 1 -1.983 -2.905 -1.132 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 -4.021 -1.935 -1.810 0.00 0.00 +0.126 A ATOM 32 N LIG 1 -4.628 -0.733 -2.050 0.00 0.00 -0.250 NA ATOM 33 C LIG 1 -5.899 -0.788 -2.505 0.00 0.00 +0.111 A ATOM 34 C LIG 1 -6.589 -1.970 -2.733 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -5.943 -3.177 -2.482 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -4.634 -3.165 -2.011 0.00 0.00 +0.033 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6