REMARK Name = BDB053401 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.218 0.086 0.860 0.00 0.00 +0.121 C ATOM 2 C LIG 1 1.260 0.291 0.651 0.00 0.00 -0.021 A ATOM 3 C LIG 1 1.952 0.072 1.846 0.00 0.00 -0.042 A ATOM 4 C LIG 1 3.327 0.236 1.917 0.00 0.00 +0.012 A ATOM 5 C LIG 1 4.032 0.615 0.761 0.00 0.00 -0.017 A ATOM 6 C LIG 1 3.316 0.865 -0.430 0.00 0.00 +0.009 A ATOM 7 C LIG 1 1.017 -0.275 2.964 0.00 0.00 +0.038 C ATOM 8 C LIG 1 1.927 0.712 -0.489 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -0.260 -0.666 2.207 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -0.611 -1.800 -0.845 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.895 -0.593 -0.229 0.00 0.00 -0.305 N ATOM 12 C LIG 1 -2.025 -0.084 -0.828 0.00 0.00 +0.162 A ATOM 13 C LIG 1 -2.371 -1.008 -1.800 0.00 0.00 +0.111 A ATOM 14 C LIG 1 -3.499 -0.753 -2.595 0.00 0.00 -0.020 A ATOM 15 C LIG 1 -4.189 0.439 -2.314 0.00 0.00 +0.029 A ATOM 16 C LIG 1 -3.748 1.298 -1.298 0.00 0.00 +0.048 A ATOM 17 C LIG 1 -3.985 -1.677 -3.668 0.00 0.00 +0.046 C ATOM 18 N LIG 1 -2.654 1.069 -0.526 0.00 0.00 -0.232 NA ATOM 19 N LIG 1 -1.493 -2.058 -1.797 0.00 0.00 -0.230 NA BRANCH 10 21 ATOM 20 C LIG 1 1.453 -2.920 -1.686 0.00 0.00 +0.012 C ATOM 21 C LIG 1 0.515 -2.726 -0.503 0.00 0.00 +0.071 C ENDBRANCH 10 21 BRANCH 16 22 ATOM 22 C LIG 1 -4.509 2.580 -1.019 0.00 0.00 +0.090 C BRANCH 22 23 ATOM 23 C LIG 1 -5.929 2.371 -0.541 0.00 0.00 -0.042 A ATOM 24 C LIG 1 -6.182 1.715 0.672 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -7.492 1.519 1.113 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -8.561 1.981 0.348 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -8.323 2.638 -0.858 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -7.014 2.834 -1.301 0.00 0.00 +0.004 A ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 1 11 BRANCH 5 29 ATOM 29 C LIG 1 5.499 0.734 0.788 0.00 0.00 -0.007 A ATOM 30 C LIG 1 6.366 -0.381 0.917 0.00 0.00 +0.028 A ATOM 31 C LIG 1 7.755 -0.157 0.991 0.00 0.00 +0.012 A ATOM 32 C LIG 1 8.288 1.130 0.917 0.00 0.00 +0.001 A ATOM 33 C LIG 1 7.441 2.221 0.773 0.00 0.00 +0.001 A ATOM 34 C LIG 1 6.062 2.025 0.712 0.00 0.00 +0.009 A BRANCH 30 35 ATOM 35 C LIG 1 5.908 -1.772 0.979 0.00 0.00 +0.180 A ATOM 36 N LIG 1 4.794 -2.281 0.367 0.00 0.00 -0.239 N ATOM 37 H LIG 1 4.102 -1.818 -0.207 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 4.671 -3.591 0.622 0.00 0.00 -0.046 NA ATOM 39 N LIG 1 5.723 -3.893 1.366 0.00 0.00 -0.023 NA ATOM 40 N LIG 1 6.501 -2.784 1.590 0.00 0.00 -0.108 NA ENDBRANCH 30 35 ENDBRANCH 5 29 TORSDOF 6