REMARK Name = BDB006421 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.101 -2.764 4.026 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.095 -2.499 2.559 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.012 -2.032 1.785 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.413 -1.918 0.460 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.451 -1.480 -0.560 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.767 -1.149 -0.223 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.212 -1.243 1.097 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.743 -2.306 0.427 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.347 -1.697 2.102 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.165 -2.666 1.693 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.553 -3.127 1.987 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.607 -0.893 1.478 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.199 0.112 0.745 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.636 0.653 0.106 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -4.153 -1.465 2.415 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.546 0.583 1.033 0.00 0.00 +0.104 C ATOM 17 C LIG 1 -5.574 1.455 2.293 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.096 1.320 -0.169 0.00 0.00 +0.018 A ATOM 19 C LIG 1 -7.149 0.807 -0.911 0.00 0.00 +0.171 A ATOM 20 O LIG 1 -7.811 -0.359 -0.667 0.00 0.00 -0.452 OA ATOM 21 C LIG 1 -8.775 -0.366 -1.737 0.00 0.00 +0.466 C ATOM 22 O LIG 1 -8.682 0.785 -2.599 0.00 0.00 -0.453 OA ATOM 23 C LIG 1 -7.652 1.458 -2.017 0.00 0.00 +0.167 A ATOM 24 C LIG 1 -7.140 2.659 -2.455 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -6.078 3.209 -1.737 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -5.560 2.548 -0.608 0.00 0.00 +0.009 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 2.557 -2.380 -0.788 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 3.560 -1.256 -0.904 0.00 0.00 -0.028 A ATOM 29 C LIG 1 3.190 0.085 -0.730 0.00 0.00 +0.006 A ATOM 30 C LIG 1 4.132 1.110 -0.872 0.00 0.00 +0.009 A ATOM 31 C LIG 1 5.466 0.830 -1.202 0.00 0.00 -0.018 A ATOM 32 C LIG 1 5.827 -0.512 -1.389 0.00 0.00 +0.009 A ATOM 33 C LIG 1 4.888 -1.540 -1.248 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 6.455 1.910 -1.350 0.00 0.00 -0.018 A ATOM 35 C LIG 1 7.660 1.892 -0.629 0.00 0.00 +0.008 A ATOM 36 C LIG 1 8.600 2.917 -0.768 0.00 0.00 +0.001 A ATOM 37 C LIG 1 8.351 3.978 -1.634 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.162 4.016 -2.359 0.00 0.00 +0.001 A ATOM 39 C LIG 1 6.223 2.991 -2.217 0.00 0.00 +0.008 A ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 6