REMARK Name = BDB026980 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.727 -0.895 -0.614 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.922 -0.844 -2.131 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.309 -1.811 -2.950 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.492 -1.802 -4.335 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.306 -0.839 -4.925 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.944 0.109 -4.131 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.761 0.102 -2.746 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.256 0.308 0.085 0.00 0.00 -0.300 NA ATOM 9 H LIG 1 -1.615 1.084 -0.077 0.00 0.00 +0.123 HD BRANCH 8 11 ATOM 10 C LIG 1 -2.546 1.508 2.185 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -2.461 0.121 1.532 0.00 0.00 +0.056 C BRANCH 11 12 ATOM 12 C LIG 1 -3.692 -0.749 1.900 0.00 0.00 +0.053 C BRANCH 12 13 ATOM 13 C LIG 1 -5.037 -0.232 1.438 0.00 0.00 -0.046 A ATOM 14 C LIG 1 -5.490 -0.486 0.135 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -6.729 -0.005 -0.294 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -7.524 0.732 0.580 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 -9.050 1.328 0.052 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 -7.092 0.990 1.878 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -5.853 0.508 2.306 0.00 0.00 +0.005 A ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.261 -1.176 -0.188 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -0.021 -2.186 0.483 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 0.825 -0.240 -0.535 0.00 0.00 +0.044 A ATOM 23 C LIG 1 2.192 -0.308 -0.090 0.00 0.00 +0.010 A ATOM 24 C LIG 1 2.880 0.765 -0.655 0.00 0.00 +0.048 A ATOM 25 C LIG 1 4.244 1.003 -0.429 0.00 0.00 +0.034 A ATOM 26 C LIG 1 4.947 0.122 0.409 0.00 0.00 -0.013 A ATOM 27 C LIG 1 4.277 -0.962 0.985 0.00 0.00 +0.009 A ATOM 28 N LIG 1 1.979 1.464 -1.419 0.00 0.00 -0.360 N ATOM 29 H LIG 1 2.203 2.290 -1.958 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 2.913 -1.186 0.746 0.00 0.00 +0.011 A ATOM 31 C LIG 1 0.744 0.876 -1.352 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 C LIG 1 6.362 0.344 0.659 0.00 0.00 +0.020 A ATOM 33 C LIG 1 7.032 0.006 1.817 0.00 0.00 +0.116 A ATOM 34 N LIG 1 8.327 0.401 1.643 0.00 0.00 -0.274 N ATOM 35 C LIG 1 9.412 0.261 2.583 0.00 0.00 +0.172 C ATOM 36 N LIG 1 8.555 0.981 0.452 0.00 0.00 -0.179 NA ATOM 37 C LIG 1 7.361 0.945 -0.145 0.00 0.00 +0.142 A ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 8