REMARK Name = BDB014999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.881 1.420 3.800 0.00 0.00 +0.000 A ATOM 2 C LIG 1 -0.133 2.364 3.609 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.437 1.957 3.300 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -1.740 0.599 3.193 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -0.732 -0.344 3.396 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.572 0.061 3.695 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 N LIG 1 3.098 2.506 3.285 0.00 0.00 -0.259 N ATOM 8 C LIG 1 2.237 1.838 4.131 0.00 0.00 +0.069 A ATOM 9 C LIG 1 2.961 1.630 5.290 0.00 0.00 +0.049 A ATOM 10 C LIG 1 4.209 2.231 5.064 0.00 0.00 +0.135 A ATOM 11 N LIG 1 4.299 2.777 3.852 0.00 0.00 -0.179 NA BRANCH 7 12 ATOM 12 C LIG 1 2.859 2.933 1.910 0.00 0.00 +0.179 C BRANCH 12 16 ATOM 13 C LIG 1 2.800 -0.383 -0.845 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.649 0.386 -0.657 0.00 0.00 +0.013 A ATOM 15 C LIG 1 1.672 1.463 0.230 0.00 0.00 +0.006 A ATOM 16 C LIG 1 2.840 1.771 0.945 0.00 0.00 -0.026 A ATOM 17 C LIG 1 3.987 0.984 0.752 0.00 0.00 +0.006 A ATOM 18 C LIG 1 3.967 -0.096 -0.133 0.00 0.00 +0.013 A BRANCH 13 20 ATOM 19 O LIG 1 1.897 -2.407 -1.559 0.00 0.00 -0.270 OA ATOM 20 C LIG 1 2.741 -1.539 -1.765 0.00 0.00 +0.247 C ATOM 21 N LIG 1 3.628 -1.578 -2.823 0.00 0.00 -0.298 N ATOM 22 C LIG 1 3.609 -2.685 -3.762 0.00 0.00 +0.108 C ATOM 23 C LIG 1 4.783 -2.412 -4.690 0.00 0.00 +0.020 C ATOM 24 C LIG 1 4.836 -0.890 -4.723 0.00 0.00 +0.020 C ATOM 25 C LIG 1 4.497 -0.505 -3.288 0.00 0.00 +0.108 C ENDBRANCH 13 20 ENDBRANCH 12 16 ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 4 26 ATOM 26 O LIG 1 -2.976 0.074 2.932 0.00 0.00 -0.489 OA BRANCH 26 27 ATOM 27 C LIG 1 -3.947 0.965 2.373 0.00 0.00 +0.261 C BRANCH 27 28 ATOM 28 C LIG 1 -5.250 0.197 2.129 0.00 0.00 +0.166 C BRANCH 28 29 ATOM 29 O LIG 1 -5.809 -0.146 3.412 0.00 0.00 -0.387 OA ATOM 30 H LIG 1 -5.108 -0.621 3.898 0.00 0.00 +0.210 HD ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -5.129 -1.105 1.299 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 -4.688 -1.068 -0.098 0.00 0.00 -0.295 NA ATOM 33 C LIG 1 -3.233 -1.178 -0.257 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -2.788 -1.169 -1.705 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -3.617 -0.653 -2.717 0.00 0.00 -0.042 A ATOM 36 C LIG 1 -3.162 -0.622 -4.043 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -1.885 -1.083 -4.361 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -1.059 -1.588 -3.360 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.023 -0.217 -2.389 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -1.507 -1.630 -2.040 0.00 0.00 +0.005 A ATOM 41 C LIG 1 -5.237 0.032 -0.889 0.00 0.00 +0.089 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 10