REMARK Name = BDB005234 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.496 0.418 0.630 0.00 0.00 +0.146 A ATOM 2 N LIG 1 1.567 0.060 -0.359 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.343 0.284 0.195 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.101 0.217 -0.141 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -1.666 0.760 1.139 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -0.675 1.112 2.089 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -0.800 1.639 3.183 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.569 0.771 1.446 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.887 0.827 1.739 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.053 1.009 1.313 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -3.744 0.685 2.501 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.122 -0.035 3.669 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.112 1.009 2.613 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -5.802 1.599 1.557 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.127 1.879 0.378 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -5.967 2.602 -0.939 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -3.768 1.590 0.254 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.620 -1.192 -0.418 0.00 0.00 -0.018 A ATOM 19 C LIG 1 -2.401 -1.516 -1.554 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -2.826 -0.509 -2.589 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -2.872 -2.835 -1.713 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -2.568 -3.826 -0.783 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.151 -5.427 -1.015 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -1.802 -3.524 0.332 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.339 -2.220 0.515 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 27 ATOM 26 C LIG 1 4.659 1.193 -0.385 0.00 0.00 +0.131 A ATOM 27 C LIG 1 3.952 0.353 0.489 0.00 0.00 +0.059 A ATOM 28 C LIG 1 4.672 -0.553 1.280 0.00 0.00 +0.015 A ATOM 29 C LIG 1 6.061 -0.651 1.163 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.745 0.159 0.257 0.00 0.00 +0.004 A ATOM 31 C LIG 1 6.045 1.080 -0.521 0.00 0.00 +0.046 A BRANCH 26 33 ATOM 32 C LIG 1 3.893 3.351 -0.489 0.00 0.00 +0.277 C ATOM 33 O LIG 1 4.008 2.103 -1.180 0.00 0.00 -0.494 OA ENDBRANCH 26 33 ENDBRANCH 1 27 BRANCH 2 34 ATOM 34 C LIG 1 1.892 -0.440 -1.690 0.00 0.00 +0.083 C ATOM 35 C LIG 1 1.292 0.420 -2.800 0.00 0.00 +0.030 C ATOM 36 C LIG 1 1.553 -1.918 -1.866 0.00 0.00 +0.030 C ENDBRANCH 2 34 TORSDOF 5