REMARK Name = BDB010798 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.396 0.515 0.896 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.268 1.318 0.739 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.015 2.335 1.647 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.107 3.032 1.320 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 1.577 2.470 0.225 0.00 0.00 +0.139 A ATOM 6 N LIG 1 -0.782 2.605 2.713 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.814 1.769 2.817 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.810 1.370 -0.125 0.00 0.00 -0.320 N ATOM 9 N LIG 1 -2.156 0.757 1.984 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -2.723 1.954 3.971 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.765 1.118 4.116 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.010 0.348 3.517 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.418 1.496 5.221 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.422 0.969 5.674 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.770 2.579 5.760 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -2.654 2.849 4.902 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 2.714 2.858 -0.525 0.00 0.00 -0.009 C ATOM 18 C LIG 1 2.790 3.445 -1.906 0.00 0.00 +0.039 C ATOM 19 C LIG 1 4.179 4.080 -1.935 0.00 0.00 +0.009 C ATOM 20 C LIG 1 4.990 3.357 -0.864 0.00 0.00 +0.028 C ATOM 21 C LIG 1 3.930 2.827 0.042 0.00 0.00 -0.020 C ENDBRANCH 5 17 BRANCH 1 22 ATOM 22 N LIG 1 -1.745 -0.494 0.010 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -1.515 -0.278 -0.951 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -2.929 -2.526 -0.522 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -3.043 -1.160 0.159 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -4.169 -0.294 -0.419 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -5.603 -0.875 -0.586 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -5.759 0.068 -1.799 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -4.223 0.025 -1.941 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 8 30 ATOM 30 C LIG 1 1.125 0.385 -1.148 0.00 0.00 +0.127 C BRANCH 30 31 ATOM 31 C LIG 1 1.577 -0.980 -0.593 0.00 0.00 +0.009 C ATOM 32 C LIG 1 2.961 -0.895 0.073 0.00 0.00 +0.005 C ATOM 33 C LIG 1 3.444 -2.262 0.556 0.00 0.00 +0.003 C ATOM 34 C LIG 1 3.451 -3.296 -0.575 0.00 0.00 -0.014 C ATOM 35 C LIG 1 3.890 -4.663 -0.054 0.00 0.00 +0.007 C ATOM 36 C LIG 1 2.071 -3.385 -1.236 0.00 0.00 +0.003 C ATOM 37 C LIG 1 1.590 -2.020 -1.724 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 7