REMARK Name = BDB021479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.508 0.271 0.070 0.00 0.00 +0.124 A ATOM 2 C LIG 1 1.494 -0.523 0.607 0.00 0.00 +0.092 A ATOM 3 C LIG 1 0.226 -0.643 0.004 0.00 0.00 +0.136 A ATOM 4 O LIG 1 -0.585 -1.462 0.734 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -1.959 -1.536 0.390 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -2.127 -2.094 -1.011 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -2.186 -1.018 -1.986 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -1.278 0.037 -2.013 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -1.484 1.002 -2.757 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.029 0.038 -1.190 0.00 0.00 +0.079 A ATOM 11 C LIG 1 1.007 0.841 -1.723 0.00 0.00 +0.020 A ATOM 12 C LIG 1 2.258 0.957 -1.106 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 3.671 0.271 0.784 0.00 0.00 -0.492 OA BRANCH 13 14 ATOM 14 C LIG 1 4.732 1.138 0.382 0.00 0.00 +0.232 C BRANCH 14 20 ATOM 15 C LIG 1 10.004 -0.982 1.877 0.00 0.00 +0.109 C ATOM 16 C LIG 1 9.573 0.279 1.171 0.00 0.00 +0.212 C ATOM 17 N LIG 1 8.307 0.282 0.583 0.00 0.00 -0.302 N ATOM 18 C LIG 1 7.848 1.554 0.028 0.00 0.00 +0.108 C ATOM 19 C LIG 1 6.805 1.375 -1.072 0.00 0.00 +0.026 C ATOM 20 C LIG 1 5.652 0.457 -0.648 0.00 0.00 +0.030 C ATOM 21 C LIG 1 6.230 -0.873 -0.144 0.00 0.00 +0.026 C ATOM 22 C LIG 1 7.270 -0.682 0.957 0.00 0.00 +0.108 C ATOM 23 O LIG 1 10.334 1.246 1.120 0.00 0.00 -0.276 OA ENDBRANCH 14 20 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 7 24 ATOM 24 C LIG 1 -3.321 -0.989 -2.922 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 -4.541 -0.163 -2.440 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 -4.131 1.132 -1.986 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -3.301 1.363 -2.456 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -5.328 -0.907 -1.331 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -6.723 -0.448 -1.144 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -6.810 0.871 -0.482 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -6.497 0.855 1.001 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -6.668 -0.317 1.762 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -6.413 -0.297 3.139 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -6.006 0.883 3.762 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.846 2.047 3.014 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.054 -1.609 1.085 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -6.094 2.035 1.641 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -7.523 -1.411 -0.365 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 7 24 TORSDOF 8