REMARK Name = BDB032456 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.710 -0.850 1.213 0.00 0.00 -0.026 A ATOM 2 C LIG 1 -0.359 -1.039 0.329 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -1.668 -0.831 0.762 0.00 0.00 +0.119 A ATOM 4 N LIG 1 -1.940 -0.462 2.030 0.00 0.00 -0.241 NA ATOM 5 C LIG 1 -0.901 -0.275 2.873 0.00 0.00 +0.113 A ATOM 6 C LIG 1 0.423 -0.450 2.517 0.00 0.00 +0.025 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.709 -1.059 -0.162 0.00 0.00 -0.329 N ATOM 8 H LIG 1 -2.497 -0.516 -0.996 0.00 0.00 +0.147 HD BRANCH 7 9 ATOM 9 C LIG 1 -4.041 -0.761 0.362 0.00 0.00 +0.107 C BRANCH 9 10 ATOM 10 C LIG 1 -5.121 -1.218 -0.642 0.00 0.00 +0.015 C ATOM 11 C LIG 1 -5.187 -0.324 -1.894 0.00 0.00 +0.079 C ATOM 12 C LIG 1 -5.882 0.968 -1.628 0.00 0.00 +0.110 A ATOM 13 N LIG 1 -6.751 1.125 -0.578 0.00 0.00 -0.334 N ATOM 14 C LIG 1 -7.242 2.395 -0.617 0.00 0.00 +0.107 A ATOM 15 C LIG 1 -6.639 2.968 -1.713 0.00 0.00 +0.130 A ATOM 16 C LIG 1 -7.017 0.120 0.430 0.00 0.00 +0.123 C ATOM 17 N LIG 1 -5.798 2.077 -2.331 0.00 0.00 -0.241 NA ATOM 18 C LIG 1 -6.516 -1.267 0.018 0.00 0.00 +0.027 C ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 3 7 BRANCH 1 19 ATOM 19 C LIG 1 2.135 -1.058 0.767 0.00 0.00 +0.137 C BRANCH 19 20 ATOM 20 N LIG 1 2.808 0.233 0.709 0.00 0.00 -0.340 N ATOM 21 H LIG 1 2.205 0.964 0.335 0.00 0.00 +0.146 HD BRANCH 20 26 ATOM 22 C LIG 1 8.138 0.779 -1.126 0.00 0.00 +0.124 A ATOM 23 C LIG 1 6.801 0.653 -0.685 0.00 0.00 +0.023 A ATOM 24 C LIG 1 6.346 -0.625 -0.286 0.00 0.00 +0.007 A ATOM 25 C LIG 1 5.005 -0.754 0.170 0.00 0.00 +0.033 A ATOM 26 C LIG 1 4.107 0.320 0.202 0.00 0.00 +0.028 A ATOM 27 C LIG 1 4.591 1.574 -0.172 0.00 0.00 +0.023 A ATOM 28 C LIG 1 7.255 -1.700 -0.364 0.00 0.00 +0.067 A ATOM 29 CL LIG 1 6.843 -3.317 0.085 0.00 0.00 -0.081 Cl ATOM 30 C LIG 1 8.541 -1.461 -0.829 0.00 0.00 +0.133 A ATOM 31 C LIG 1 5.904 1.739 -0.621 0.00 0.00 +0.014 A ATOM 32 N LIG 1 8.999 -0.250 -1.210 0.00 0.00 -0.239 NA BRANCH 22 33 ATOM 33 N LIG 1 8.672 2.008 -1.524 0.00 0.00 -0.343 N ATOM 34 H LIG 1 9.647 1.834 -1.760 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 8.591 2.695 -0.783 0.00 0.00 +0.144 HD ENDBRANCH 22 33 ENDBRANCH 20 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7