REMARK Name = BDB032310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.655 0.203 -0.714 0.00 0.00 +0.138 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.201 -0.150 -0.590 0.00 0.00 -0.012 A ATOM 3 C LIG 1 -0.638 0.564 0.254 0.00 0.00 +0.118 A ATOM 4 N LIG 1 -1.955 0.300 0.425 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 -2.500 -0.727 -0.259 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -1.718 -1.509 -1.111 0.00 0.00 +0.044 A ATOM 7 C LIG 1 -0.363 -1.220 -1.279 0.00 0.00 +0.010 A BRANCH 5 8 ATOM 8 N LIG 1 -3.865 -1.035 -0.093 0.00 0.00 -0.313 N ATOM 9 C LIG 1 -4.660 -0.885 -1.328 0.00 0.00 +0.128 C ATOM 10 C LIG 1 -5.319 0.488 -1.461 0.00 0.00 +0.142 C ATOM 11 N LIG 1 -6.533 0.639 -0.678 0.00 0.00 -0.333 N ATOM 12 C LIG 1 -6.821 0.087 0.549 0.00 0.00 +0.111 A ATOM 13 N LIG 1 -8.029 0.449 0.942 0.00 0.00 -0.241 NA ATOM 14 C LIG 1 -8.521 1.262 -0.042 0.00 0.00 +0.130 A ATOM 15 C LIG 1 -5.910 -0.812 1.326 0.00 0.00 +0.093 C ATOM 16 C LIG 1 -7.609 1.397 -1.058 0.00 0.00 +0.107 A ATOM 17 C LIG 1 -4.429 -0.475 1.155 0.00 0.00 +0.114 C ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 N LIG 1 2.361 -0.226 0.484 0.00 0.00 -0.340 N ATOM 19 H LIG 1 2.023 -1.117 0.843 0.00 0.00 +0.146 HD BRANCH 18 24 ATOM 20 C LIG 1 7.977 0.258 1.037 0.00 0.00 +0.124 A ATOM 21 C LIG 1 6.575 0.127 0.907 0.00 0.00 +0.023 A ATOM 22 C LIG 1 5.922 0.883 -0.093 0.00 0.00 +0.007 A ATOM 23 C LIG 1 4.513 0.746 -0.234 0.00 0.00 +0.033 A ATOM 24 C LIG 1 3.752 -0.123 0.557 0.00 0.00 +0.028 A ATOM 25 C LIG 1 4.416 -0.817 1.570 0.00 0.00 +0.023 A ATOM 26 C LIG 1 6.710 1.741 -0.888 0.00 0.00 +0.067 A ATOM 27 CL LIG 1 6.054 2.727 -2.147 0.00 0.00 -0.081 Cl ATOM 28 C LIG 1 8.078 1.801 -0.660 0.00 0.00 +0.133 A ATOM 29 C LIG 1 5.799 -0.707 1.737 0.00 0.00 +0.014 A ATOM 30 N LIG 1 8.725 1.079 0.279 0.00 0.00 -0.239 NA BRANCH 20 31 ATOM 31 N LIG 1 8.701 -0.462 1.990 0.00 0.00 -0.343 N ATOM 32 H LIG 1 8.555 -1.459 1.881 0.00 0.00 +0.144 HD ATOM 33 H LIG 1 9.679 -0.214 1.857 0.00 0.00 +0.144 HD ENDBRANCH 20 31 ENDBRANCH 18 24 ENDBRANCH 1 18 TORSDOF 5