REMARK Name = BDB024160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.508 -0.470 -0.393 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.817 -1.815 -1.032 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.824 -2.628 -0.485 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.116 -3.873 -1.044 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.403 -4.325 -2.152 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.394 -3.536 -2.699 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.099 -2.291 -2.142 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.267 -0.608 0.539 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.902 -0.213 -0.074 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.817 0.134 -1.024 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.369 -1.034 1.688 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.199 -0.203 0.424 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.106 0.295 -0.441 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.399 0.344 -0.031 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.851 -0.077 1.215 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.889 -0.591 2.083 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.549 -0.654 1.688 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.247 0.001 1.602 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.170 0.896 1.097 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.346 0.641 1.742 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.604 1.325 1.561 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.261 -0.359 2.635 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.985 -0.745 2.552 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.265 0.629 -1.375 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.028 1.466 -0.840 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.425 0.938 -2.230 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -4.302 2.530 -2.819 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -3.351 2.068 -1.705 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.144 1.684 -0.466 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -3.963 2.400 0.727 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.679 2.059 1.879 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.589 0.999 1.852 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.779 0.281 0.668 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.063 0.622 -0.482 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -6.326 0.652 3.031 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.927 0.372 3.984 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9