REMARK Name = BDB008275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.030 0.868 0.574 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.772 1.049 0.141 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.057 -0.010 0.078 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.341 -1.286 0.438 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -1.651 -1.482 0.887 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -2.506 -0.378 0.953 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.125 -2.823 1.279 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -2.748 -3.685 0.320 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -3.212 -4.960 0.715 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -3.812 -5.821 -0.127 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -3.972 -5.451 -1.413 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -3.558 -4.236 -1.915 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -3.045 -5.354 2.030 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -2.434 -4.530 2.975 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -2.943 -3.349 -1.039 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -1.970 -3.263 2.616 0.00 0.00 -0.042 A ATOM 17 C LIG 1 -1.312 -2.406 3.666 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.630 3.269 0.385 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.917 1.942 0.650 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.853 1.787 1.011 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -1.554 3.736 0.031 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.905 4.146 0.524 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -3.526 5.596 0.819 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -6.155 4.040 1.472 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -4.782 3.558 1.576 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -4.407 3.826 2.490 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 1.330 0.317 -0.381 0.00 0.00 -0.265 N ATOM 28 H LIG 1 1.439 1.304 -0.595 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.417 -0.499 -0.570 0.00 0.00 +0.271 C ATOM 30 O LIG 1 2.455 -1.707 -0.360 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 3.597 0.215 -1.070 0.00 0.00 +0.169 A ATOM 32 N LIG 1 3.587 1.538 -1.306 0.00 0.00 -0.073 NA ATOM 33 O LIG 1 4.855 1.850 -1.760 0.00 0.00 -0.354 OA ATOM 34 C LIG 1 5.628 0.726 -1.801 0.00 0.00 +0.168 A ATOM 35 C LIG 1 4.869 -0.336 -1.370 0.00 0.00 +0.086 A BRANCH 34 36 ATOM 36 C LIG 1 7.003 0.891 -2.263 0.00 0.00 +0.020 A ATOM 37 C LIG 1 7.511 2.153 -2.611 0.00 0.00 +0.011 A ATOM 38 C LIG 1 8.829 2.300 -3.053 0.00 0.00 +0.001 A ATOM 39 C LIG 1 9.660 1.187 -3.154 0.00 0.00 +0.000 A ATOM 40 C LIG 1 9.174 -0.072 -2.813 0.00 0.00 +0.001 A ATOM 41 C LIG 1 7.855 -0.219 -2.371 0.00 0.00 +0.011 A ENDBRANCH 34 36 ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 7