REMARK Name = BDB006425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.164 -0.573 1.445 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.929 0.037 0.204 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.230 -0.293 -0.535 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.748 0.138 -1.796 0.00 0.00 -0.022 A ATOM 5 C LIG 1 1.937 -0.544 -2.010 0.00 0.00 +0.020 A ATOM 6 N LIG 1 2.162 -1.354 -0.912 0.00 0.00 -0.339 N ATOM 7 C LIG 1 2.876 -0.463 -3.166 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.130 1.132 -2.717 0.00 0.00 +0.046 C ATOM 9 C LIG 1 1.127 -1.220 -0.001 0.00 0.00 +0.050 A ATOM 10 C LIG 1 0.913 -1.823 1.251 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -0.241 -1.482 1.963 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 -3.494 0.127 1.550 0.00 0.00 -0.305 N ATOM 13 H LIG 1 -3.514 -0.025 0.550 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 -2.374 -0.257 2.255 0.00 0.00 +0.245 C ATOM 15 O LIG 1 -2.349 -0.376 3.474 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -4.765 0.378 2.211 0.00 0.00 +0.101 C ATOM 17 C LIG 1 -4.751 1.706 2.975 0.00 0.00 +0.033 C BRANCH 16 20 ATOM 18 C LIG 1 -7.863 -0.785 0.294 0.00 0.00 +0.124 A ATOM 19 C LIG 1 -6.830 -0.708 1.233 0.00 0.00 +0.051 A ATOM 20 C LIG 1 -5.887 0.329 1.191 0.00 0.00 -0.021 A ATOM 21 C LIG 1 -5.997 1.285 0.170 0.00 0.00 +0.051 A ATOM 22 C LIG 1 -7.025 1.219 -0.776 0.00 0.00 +0.124 A ATOM 23 C LIG 1 -7.959 0.182 -0.711 0.00 0.00 +0.091 A BRANCH 18 25 ATOM 24 C LIG 1 -9.789 -1.978 -0.443 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -8.704 -1.850 0.468 0.00 0.00 -0.495 OA ENDBRANCH 18 25 BRANCH 22 26 ATOM 26 O LIG 1 -6.998 2.221 -1.708 0.00 0.00 -0.495 OA ATOM 27 C LIG 1 -8.040 2.235 -2.675 0.00 0.00 +0.277 C ENDBRANCH 22 26 ENDBRANCH 16 20 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 28 ATOM 28 C LIG 1 3.299 -2.264 -0.750 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 4.582 -1.554 -0.389 0.00 0.00 -0.028 A ATOM 30 C LIG 1 5.761 -1.846 -1.088 0.00 0.00 +0.006 A ATOM 31 C LIG 1 6.966 -1.220 -0.749 0.00 0.00 +0.009 A ATOM 32 C LIG 1 7.033 -0.294 0.302 0.00 0.00 -0.018 A ATOM 33 C LIG 1 5.852 -0.017 1.007 0.00 0.00 +0.009 A ATOM 34 C LIG 1 4.645 -0.641 0.672 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 8.302 0.363 0.657 0.00 0.00 -0.018 A ATOM 36 C LIG 1 9.059 1.045 -0.310 0.00 0.00 +0.008 A ATOM 37 C LIG 1 10.264 1.670 0.025 0.00 0.00 +0.001 A ATOM 38 C LIG 1 10.733 1.621 1.335 0.00 0.00 +0.000 A ATOM 39 C LIG 1 9.998 0.951 2.310 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.793 0.328 1.973 0.00 0.00 +0.008 A ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 6 28 TORSDOF 8