REMARK Name = BDB026981 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.591 0.078 -0.447 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.916 0.333 -1.917 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.661 -0.639 -2.898 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.982 -0.401 -4.235 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.575 0.804 -4.607 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.853 1.770 -3.642 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.531 1.535 -2.304 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.587 -0.877 0.110 0.00 0.00 -0.300 NA ATOM 9 H LIG 1 -3.444 -0.778 -0.436 0.00 0.00 +0.123 HD BRANCH 8 11 ATOM 10 C LIG 1 -1.741 -0.974 2.458 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -2.916 -0.652 1.530 0.00 0.00 +0.056 C BRANCH 11 12 ATOM 12 C LIG 1 -4.129 -1.532 1.934 0.00 0.00 +0.053 C BRANCH 12 13 ATOM 13 C LIG 1 -5.422 -1.132 1.256 0.00 0.00 -0.046 A ATOM 14 C LIG 1 -5.909 -1.867 0.166 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -7.090 -1.486 -0.474 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -7.790 -0.369 -0.026 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 -9.244 0.103 -0.815 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 -7.320 0.371 1.058 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -6.138 -0.009 1.697 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 -0.131 -0.443 -0.279 0.00 0.00 +0.186 C ATOM 21 O LIG 1 0.123 -1.646 -0.172 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 0.962 0.547 -0.260 0.00 0.00 +0.044 A ATOM 23 C LIG 1 2.355 0.289 -0.011 0.00 0.00 +0.010 A ATOM 24 C LIG 1 3.035 1.503 -0.092 0.00 0.00 +0.048 A ATOM 25 C LIG 1 4.420 1.618 0.100 0.00 0.00 +0.034 A ATOM 26 C LIG 1 5.153 0.456 0.392 0.00 0.00 -0.013 A ATOM 27 C LIG 1 4.491 -0.774 0.475 0.00 0.00 +0.009 A ATOM 28 N LIG 1 2.103 2.469 -0.382 0.00 0.00 -0.360 N ATOM 29 H LIG 1 2.315 3.450 -0.509 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 3.106 -0.870 0.278 0.00 0.00 +0.011 A ATOM 31 C LIG 1 0.856 1.910 -0.481 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 C LIG 1 6.590 0.546 0.595 0.00 0.00 +0.020 A ATOM 33 C LIG 1 7.335 -0.278 1.415 0.00 0.00 +0.116 A ATOM 34 N LIG 1 8.626 0.157 1.328 0.00 0.00 -0.274 N ATOM 35 C LIG 1 9.774 -0.391 2.008 0.00 0.00 +0.172 C ATOM 36 N LIG 1 8.782 1.215 0.513 0.00 0.00 -0.179 NA ATOM 37 C LIG 1 7.545 1.447 0.067 0.00 0.00 +0.142 A ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 8