REMARK Name = BDB046891 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.307 -0.163 0.020 0.00 0.00 -0.220 N ATOM 2 N LIG 1 4.253 -1.512 -0.133 0.00 0.00 -0.173 NA ATOM 3 C LIG 1 3.012 -1.768 -0.540 0.00 0.00 +0.138 A ATOM 4 C LIG 1 2.220 -0.611 -0.655 0.00 0.00 -0.008 A ATOM 5 C LIG 1 3.078 0.403 -0.291 0.00 0.00 +0.120 A ENDROOT BRANCH 1 10 ATOM 6 O LIG 1 9.983 0.879 1.833 0.00 0.00 -0.267 OA ATOM 7 C LIG 1 9.029 0.200 1.474 0.00 0.00 +0.259 A ATOM 8 C LIG 1 7.722 0.799 1.146 0.00 0.00 +0.070 A ATOM 9 C LIG 1 6.682 -0.054 0.744 0.00 0.00 +0.122 A ATOM 10 C LIG 1 5.464 0.575 0.446 0.00 0.00 +0.180 A ATOM 11 N LIG 1 5.290 1.937 0.539 0.00 0.00 -0.234 NA ATOM 12 C LIG 1 6.330 2.698 0.931 0.00 0.00 +0.114 A ATOM 13 N LIG 1 6.899 -1.446 0.661 0.00 0.00 -0.233 NA ATOM 14 C LIG 1 8.056 -1.922 0.956 0.00 0.00 +0.200 A ATOM 15 C LIG 1 7.562 2.180 1.245 0.00 0.00 +0.035 A ATOM 16 N LIG 1 9.111 -1.160 1.353 0.00 0.00 -0.313 N ATOM 17 H LIG 1 10.001 -1.582 1.574 0.00 0.00 +0.170 HD ENDBRANCH 1 10 BRANCH 4 18 ATOM 18 C LIG 1 0.793 -0.510 -1.074 0.00 0.00 +0.053 C BRANCH 18 19 ATOM 19 C LIG 1 -0.173 -0.696 0.111 0.00 0.00 +0.089 C BRANCH 19 20 ATOM 20 N LIG 1 -1.591 -0.535 -0.257 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 -2.042 -1.558 -1.215 0.00 0.00 +0.084 C ATOM 22 C LIG 1 -3.558 -1.808 -1.196 0.00 0.00 +0.019 C ATOM 23 C LIG 1 -4.326 -0.537 -0.823 0.00 0.00 -0.004 C ATOM 24 C LIG 1 -3.865 -0.046 0.564 0.00 0.00 +0.019 C ATOM 25 C LIG 1 -2.446 -0.499 0.931 0.00 0.00 +0.084 C BRANCH 23 26 ATOM 26 C LIG 1 -5.846 -0.775 -0.887 0.00 0.00 +0.040 C BRANCH 26 27 ATOM 27 C LIG 1 -6.663 0.475 -0.699 0.00 0.00 -0.029 A ATOM 28 C LIG 1 -6.716 1.458 -1.685 0.00 0.00 +0.114 A ATOM 29 N LIG 1 -7.428 2.602 -1.581 0.00 0.00 -0.263 NA ATOM 30 C LIG 1 -8.123 2.781 -0.438 0.00 0.00 +0.111 A ATOM 31 C LIG 1 -8.139 1.869 0.603 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -7.398 0.699 0.468 0.00 0.00 +0.006 A ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 6