REMARK Name = BDB031786 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.933 -2.241 -0.284 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.992 -2.564 0.712 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.341 -2.177 0.526 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.788 -1.497 -0.598 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.188 -1.292 -0.380 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -2.574 -1.837 0.777 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.143 -1.188 -1.607 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -1.452 -2.341 1.304 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -1.514 -2.797 2.206 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.482 -1.572 -1.435 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.526 2.126 0.243 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.388 0.745 0.448 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.332 -0.122 -0.083 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.499 -1.615 -0.054 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.385 -2.638 -0.146 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.791 -1.853 -0.802 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.255 -0.618 -1.217 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.112 -0.504 -1.735 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.307 -2.942 -0.991 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.131 -2.425 1.156 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.412 0.414 -0.799 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.581 1.765 -1.020 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.617 2.628 -0.489 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 2.608 4.288 0.637 0.00 0.00 +0.277 C ATOM 25 O LIG 1 2.532 2.879 0.810 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.967 -0.660 -1.290 0.00 0.00 -0.281 N ATOM 27 H LIG 1 -2.518 -0.284 -2.115 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.256 -0.095 -1.124 0.00 0.00 +0.146 A ATOM 29 C LIG 1 -4.989 0.247 -2.254 0.00 0.00 +0.099 A ATOM 30 CL LIG 1 -4.381 0.078 -3.856 0.00 0.00 -0.078 Cl ATOM 31 C LIG 1 -6.247 0.758 -2.039 0.00 0.00 +0.136 A ATOM 32 N LIG 1 -6.783 0.933 -0.816 0.00 0.00 -0.238 NA ATOM 33 C LIG 1 -6.021 0.579 0.238 0.00 0.00 +0.134 A ATOM 34 N LIG 1 -4.778 0.074 0.108 0.00 0.00 -0.215 NA BRANCH 33 35 ATOM 35 C LIG 1 -6.587 0.747 1.626 0.00 0.00 +0.057 C ATOM 36 C LIG 1 -5.820 1.524 2.672 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -7.075 2.102 2.091 0.00 0.00 +0.012 C ENDBRANCH 33 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5