REMARK Name = BDB021579 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.349 1.123 -0.036 0.00 0.00 +0.124 A ATOM 2 C LIG 1 -2.562 2.191 0.392 0.00 0.00 +0.092 A ATOM 3 C LIG 1 -1.156 2.110 0.455 0.00 0.00 +0.136 A ATOM 4 O LIG 1 -0.624 3.286 0.898 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 0.786 3.444 0.890 0.00 0.00 +0.248 C ATOM 6 C LIG 1 1.449 2.391 1.759 0.00 0.00 +0.149 C ATOM 7 N LIG 1 1.825 1.239 0.959 0.00 0.00 -0.292 N ATOM 8 C LIG 1 0.942 0.599 0.092 0.00 0.00 +0.250 C ATOM 9 O LIG 1 1.332 -0.292 -0.667 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.523 0.915 0.089 0.00 0.00 +0.079 A ATOM 11 C LIG 1 -1.339 -0.154 -0.353 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -2.733 -0.056 -0.417 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 -4.700 1.356 -0.049 0.00 0.00 -0.489 OA BRANCH 13 20 ATOM 14 C LIG 1 -10.625 -2.526 2.402 0.00 0.00 +0.109 C ATOM 15 C LIG 1 -9.911 -2.718 1.091 0.00 0.00 +0.212 C ATOM 16 N LIG 1 -8.982 -1.760 0.790 0.00 0.00 -0.301 N ATOM 17 C LIG 1 -8.273 -0.814 1.647 0.00 0.00 +0.116 C ATOM 18 C LIG 1 -7.284 -0.702 0.525 0.00 0.00 +0.009 C ATOM 19 C LIG 1 -7.111 0.622 -0.178 0.00 0.00 +0.054 C ATOM 20 C LIG 1 -5.600 0.263 -0.324 0.00 0.00 +0.175 C ATOM 21 C LIG 1 -5.808 -0.781 0.816 0.00 0.00 +0.054 C ATOM 22 C LIG 1 -7.935 -1.832 -0.227 0.00 0.00 +0.116 C ATOM 23 O LIG 1 -10.145 -3.676 0.359 0.00 0.00 -0.276 OA ENDBRANCH 13 20 ENDBRANCH 1 13 BRANCH 7 24 ATOM 24 C LIG 1 3.252 0.903 0.874 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 4.098 1.938 0.103 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 3.440 2.403 -1.082 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 3.819 1.869 -1.810 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 5.516 1.424 -0.253 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 5.633 0.823 -1.603 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 7.052 0.720 -2.012 0.00 0.00 +0.120 C ATOM 31 C LIG 1 7.821 -0.404 -1.350 0.00 0.00 -0.030 A ATOM 32 C LIG 1 7.154 -1.538 -0.852 0.00 0.00 -0.042 A ATOM 33 C LIG 1 7.891 -2.583 -0.278 0.00 0.00 +0.004 A ATOM 34 C LIG 1 9.282 -2.513 -0.218 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.947 -1.400 -0.726 0.00 0.00 +0.000 A ATOM 36 C LIG 1 5.646 -1.606 -0.878 0.00 0.00 +0.051 C ATOM 37 C LIG 1 9.222 -0.351 -1.294 0.00 0.00 +0.005 A ATOM 38 C LIG 1 5.019 -0.511 -1.753 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 7 24 TORSDOF 7