REMARK Name = BDB006422 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.777 -1.724 2.850 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.272 -1.554 1.459 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.921 -0.848 0.398 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.101 -0.927 -0.729 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.451 -0.314 -1.944 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.662 0.381 -2.012 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.511 0.462 -0.907 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.016 -1.663 -0.367 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.141 -0.139 0.306 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.917 -2.058 0.954 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.967 -2.864 1.641 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.785 1.221 -1.053 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.809 0.871 -0.209 0.00 0.00 -0.303 N ATOM 14 H LIG 1 4.747 0.068 0.407 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.894 2.090 -1.912 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.115 1.512 -0.246 0.00 0.00 +0.119 C ATOM 17 C LIG 1 6.075 2.852 0.489 0.00 0.00 +0.034 C BRANCH 16 18 ATOM 18 C LIG 1 7.160 0.597 0.381 0.00 0.00 +0.061 A ATOM 19 N LIG 1 6.729 -0.308 1.306 0.00 0.00 -0.258 NA ATOM 20 C LIG 1 7.661 -1.110 1.868 0.00 0.00 +0.111 A ATOM 21 C LIG 1 9.009 -1.060 1.558 0.00 0.00 +0.020 A ATOM 22 C LIG 1 9.433 -0.131 0.616 0.00 0.00 +0.003 A ATOM 23 C LIG 1 8.500 0.711 0.017 0.00 0.00 +0.025 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 24 ATOM 24 C LIG 1 -2.110 -2.011 -1.275 0.00 0.00 +0.157 C BRANCH 24 25 ATOM 25 C LIG 1 -3.368 -1.211 -1.028 0.00 0.00 -0.028 A ATOM 26 C LIG 1 -4.604 -1.865 -0.933 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -5.783 -1.139 -0.732 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -5.766 0.260 -0.631 0.00 0.00 -0.018 A ATOM 29 C LIG 1 -4.527 0.909 -0.741 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -3.345 0.187 -0.942 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 -7.007 1.022 -0.419 0.00 0.00 -0.018 A ATOM 32 C LIG 1 -7.871 0.718 0.646 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -9.050 1.441 0.848 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -9.386 2.481 -0.014 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.545 2.799 -1.077 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -7.365 2.076 -1.276 0.00 0.00 +0.008 A ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 8 24 TORSDOF 6