REMARK Name = BDB006379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.926 -1.426 3.359 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.357 -1.576 1.991 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.990 -1.218 0.760 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.109 -1.528 -0.278 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.442 -1.304 -1.625 0.00 0.00 +0.027 A ATOM 6 C LIG 1 2.692 -0.750 -1.917 0.00 0.00 +0.015 A ATOM 7 C LIG 1 3.585 -0.417 -0.898 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.035 -2.052 0.304 0.00 0.00 -0.339 N ATOM 9 C LIG 1 3.249 -0.661 0.442 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.109 -2.096 1.678 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -0.951 -2.614 2.590 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 4.897 0.174 -1.277 0.00 0.00 +0.244 C ATOM 13 N LIG 1 5.451 1.062 -0.375 0.00 0.00 -0.308 N ATOM 14 H LIG 1 4.877 1.366 0.402 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 5.415 -0.110 -2.351 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.725 1.744 -0.650 0.00 0.00 +0.073 C ATOM 17 C LIG 1 7.243 2.619 0.517 0.00 0.00 +0.022 C ATOM 18 C LIG 1 8.659 2.117 0.168 0.00 0.00 +0.004 C ATOM 19 C LIG 1 7.985 0.869 -0.439 0.00 0.00 +0.022 C ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 20 ATOM 20 C LIG 1 -1.196 -2.542 -0.442 0.00 0.00 +0.157 C BRANCH 20 21 ATOM 21 C LIG 1 -2.379 -1.605 -0.376 0.00 0.00 -0.028 A ATOM 22 C LIG 1 -2.263 -0.252 -0.724 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -3.375 0.594 -0.682 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -4.636 0.109 -0.304 0.00 0.00 -0.017 A ATOM 25 C LIG 1 -4.751 -1.247 0.034 0.00 0.00 +0.009 A ATOM 26 C LIG 1 -3.640 -2.095 -0.008 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 -5.803 1.002 -0.248 0.00 0.00 -0.004 A ATOM 28 C LIG 1 -6.385 1.591 -1.389 0.00 0.00 +0.067 A ATOM 29 C LIG 1 -7.446 2.502 -1.269 0.00 0.00 +0.015 A ATOM 30 C LIG 1 -7.964 2.813 -0.013 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -7.420 2.223 1.124 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.350 1.332 1.007 0.00 0.00 +0.009 A BRANCH 28 33 ATOM 33 C LIG 1 -5.918 1.308 -2.760 0.00 0.00 +0.337 C ATOM 34 O LIG 1 -5.675 2.140 -3.614 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -5.879 -0.010 -3.016 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 -5.577 -0.069 -3.945 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 7