REMARK Name = BDB006157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.980 0.527 0.128 0.00 0.00 +0.146 C ATOM 2 N LIG 1 -2.132 0.799 -1.335 0.00 0.00 -0.254 N ATOM 3 C LIG 1 -0.915 0.656 -2.050 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -0.704 0.780 -3.246 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 0.064 0.341 -1.034 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.367 0.120 -1.034 0.00 0.00 -0.157 NA ATOM 7 N LIG 1 1.669 -0.148 0.290 0.00 0.00 -0.187 N ATOM 8 C LIG 1 0.508 -0.018 1.100 0.00 0.00 +0.058 A ATOM 9 C LIG 1 2.982 -0.589 0.650 0.00 0.00 +0.338 C ATOM 10 N LIG 1 4.021 -0.327 -0.245 0.00 0.00 -0.280 N ATOM 11 C LIG 1 5.308 -0.971 0.018 0.00 0.00 +0.125 C ATOM 12 C LIG 1 6.199 -1.035 -1.234 0.00 0.00 +0.103 C ATOM 13 N LIG 1 6.451 0.265 -1.887 0.00 0.00 -0.302 NA ATOM 14 C LIG 1 7.806 0.750 -1.640 0.00 0.00 +0.105 C ATOM 15 C LIG 1 5.452 1.284 -1.515 0.00 0.00 +0.103 C ATOM 16 C LIG 1 4.037 0.712 -1.290 0.00 0.00 +0.125 C ATOM 17 O LIG 1 3.139 -1.201 1.702 0.00 0.00 -0.247 OA ATOM 18 C LIG 1 -0.516 0.256 0.218 0.00 0.00 +0.032 A ENDROOT BRANCH 1 21 ATOM 19 C LIG 1 -3.453 0.359 2.830 0.00 0.00 +0.044 C ATOM 20 C LIG 1 -3.328 -0.802 1.879 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -2.671 -0.739 0.625 0.00 0.00 -0.019 A ATOM 22 C LIG 1 -2.652 -1.911 -0.171 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -3.271 -3.092 0.240 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -3.925 -3.132 1.461 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 -4.699 -4.580 1.975 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 -3.959 -2.001 2.272 0.00 0.00 +0.023 A ENDBRANCH 1 21 BRANCH 2 27 ATOM 27 C LIG 1 -3.403 0.933 -1.968 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -4.467 1.685 -1.423 0.00 0.00 -0.029 A ATOM 29 C LIG 1 -4.337 2.582 -0.225 0.00 0.00 +0.045 C ATOM 30 C LIG 1 -5.725 1.667 -2.061 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -5.924 0.964 -3.246 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -4.863 0.275 -3.812 0.00 0.00 +0.043 A ATOM 33 CL LIG 1 -5.096 -0.591 -5.282 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 -3.616 0.262 -3.188 0.00 0.00 +0.043 A ENDBRANCH 2 27 BRANCH 8 35 ATOM 35 C LIG 1 0.427 -0.133 2.600 0.00 0.00 +0.032 C ATOM 36 C LIG 1 1.417 0.757 3.348 0.00 0.00 +0.014 C ATOM 37 C LIG 1 0.414 -1.577 3.095 0.00 0.00 +0.014 C ENDBRANCH 8 35 TORSDOF 3