REMARK Name = BDB011578 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.520 0.842 -0.514 0.00 0.00 +0.147 A ATOM 2 N LIG 1 1.362 0.775 0.259 0.00 0.00 -0.321 N ATOM 3 C LIG 1 0.311 0.682 -0.629 0.00 0.00 +0.087 A ATOM 4 C LIG 1 -1.144 0.492 -0.405 0.00 0.00 +0.163 C ATOM 5 N LIG 1 -1.861 0.675 -1.706 0.00 0.00 -0.242 N ATOM 6 C LIG 1 -1.233 0.733 -2.957 0.00 0.00 +0.313 C ATOM 7 N LIG 1 0.135 0.730 -2.983 0.00 0.00 -0.252 N ATOM 8 H LIG 1 0.601 0.823 -3.873 0.00 0.00 +0.158 HD ATOM 9 O LIG 1 -1.829 0.836 -4.032 0.00 0.00 -0.252 OA ATOM 10 C LIG 1 0.879 0.765 -1.857 0.00 0.00 +0.150 A ATOM 11 N LIG 1 2.220 0.872 -1.806 0.00 0.00 -0.212 NA ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -3.286 0.802 -1.640 0.00 0.00 +0.043 A ATOM 13 C LIG 1 -4.160 -0.099 -2.284 0.00 0.00 -0.029 A ATOM 14 C LIG 1 -3.696 -1.291 -3.076 0.00 0.00 +0.045 C ATOM 15 C LIG 1 -5.549 0.114 -2.192 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -6.067 1.180 -1.458 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -5.199 2.053 -0.816 0.00 0.00 +0.043 A ATOM 18 CL LIG 1 -5.828 3.370 0.096 0.00 0.00 -0.083 Cl ATOM 19 C LIG 1 -3.820 1.873 -0.905 0.00 0.00 +0.043 A ENDBRANCH 5 12 BRANCH 4 20 ATOM 20 C LIG 1 -1.452 -0.883 0.210 0.00 0.00 -0.018 A ATOM 21 C LIG 1 -2.217 -1.045 1.391 0.00 0.00 -0.044 A ATOM 22 C LIG 1 -2.832 0.106 2.142 0.00 0.00 +0.044 C ATOM 23 C LIG 1 -2.468 -2.344 1.877 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -1.964 -3.466 1.222 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 -2.283 -5.037 1.845 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 -1.211 -3.321 0.067 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -0.962 -2.043 -0.435 0.00 0.00 +0.007 A ENDBRANCH 4 20 BRANCH 1 29 ATOM 28 C LIG 1 4.577 -0.267 0.382 0.00 0.00 +0.131 A ATOM 29 C LIG 1 3.892 0.889 -0.016 0.00 0.00 +0.059 A ATOM 30 C LIG 1 4.573 2.115 0.001 0.00 0.00 +0.015 A ATOM 31 C LIG 1 5.888 2.190 0.468 0.00 0.00 +0.001 A ATOM 32 C LIG 1 6.538 1.040 0.912 0.00 0.00 +0.004 A ATOM 33 C LIG 1 5.883 -0.191 0.872 0.00 0.00 +0.046 A BRANCH 28 35 ATOM 34 C LIG 1 4.209 -2.141 -0.889 0.00 0.00 +0.277 C ATOM 35 O LIG 1 3.966 -1.496 0.363 0.00 0.00 -0.494 OA ENDBRANCH 28 35 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 1.231 0.830 1.713 0.00 0.00 +0.083 C ATOM 37 C LIG 1 1.891 2.053 2.351 0.00 0.00 +0.030 C ATOM 38 C LIG 1 1.639 -0.465 2.411 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 5