REMARK Name = BDB034720 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.995 4.541 -1.148 0.00 0.00 +0.154 C ATOM 2 N LIG 1 -2.289 3.256 -0.583 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -1.396 2.182 -0.511 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -2.063 1.103 0.065 0.00 0.00 +0.072 A ATOM 5 C LIG 1 -1.443 -0.117 0.256 0.00 0.00 +0.051 A ATOM 6 C LIG 1 -0.092 -0.252 -0.124 0.00 0.00 +0.034 A ATOM 7 C LIG 1 0.556 0.851 -0.730 0.00 0.00 +0.025 A ATOM 8 N LIG 1 -3.372 1.513 0.358 0.00 0.00 -0.292 N ATOM 9 C LIG 1 -0.087 2.083 -0.920 0.00 0.00 +0.030 A ATOM 10 C LIG 1 -3.537 2.853 -0.063 0.00 0.00 +0.330 A ATOM 11 O LIG 1 -4.557 3.520 0.009 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 0.515 -1.519 0.029 0.00 0.00 -0.298 N ATOM 13 H LIG 1 -0.018 -2.137 0.633 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 1.879 -1.906 0.008 0.00 0.00 +0.147 A ATOM 15 C LIG 1 2.197 -3.257 0.099 0.00 0.00 +0.099 A ATOM 16 CL LIG 1 1.013 -4.489 0.308 0.00 0.00 -0.078 Cl ATOM 17 C LIG 1 3.533 -3.584 0.035 0.00 0.00 +0.138 A ATOM 18 N LIG 1 4.520 -2.678 -0.115 0.00 0.00 -0.217 NA ATOM 19 C LIG 1 4.141 -1.386 -0.209 0.00 0.00 +0.254 A ATOM 20 N LIG 1 2.849 -0.985 -0.150 0.00 0.00 -0.194 NA BRANCH 19 21 ATOM 21 N LIG 1 5.151 -0.370 -0.391 0.00 0.00 -0.198 N ATOM 22 C LIG 1 6.535 -0.541 -0.472 0.00 0.00 +0.078 A ATOM 23 C LIG 1 7.065 0.737 -0.648 0.00 0.00 +0.020 A ATOM 24 C LIG 1 8.456 0.910 -0.767 0.00 0.00 +0.011 A ATOM 25 C LIG 1 9.289 -0.211 -0.705 0.00 0.00 +0.001 A ATOM 26 C LIG 1 8.751 -1.482 -0.530 0.00 0.00 +0.002 A ATOM 27 C LIG 1 5.950 1.594 -0.661 0.00 0.00 +0.143 A ATOM 28 C LIG 1 7.370 -1.672 -0.410 0.00 0.00 +0.028 A ATOM 29 N LIG 1 4.796 0.950 -0.510 0.00 0.00 -0.171 NA ENDBRANCH 19 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 8 30 ATOM 30 C LIG 1 -4.423 0.686 0.895 0.00 0.00 +0.130 C BRANCH 30 31 ATOM 31 C LIG 1 -5.109 -0.143 -0.191 0.00 0.00 +0.056 C BRANCH 31 32 ATOM 32 C LIG 1 -6.313 -0.977 0.285 0.00 0.00 +0.062 C ATOM 33 C LIG 1 -7.483 -0.097 0.729 0.00 0.00 +0.041 C ATOM 34 C LIG 1 -5.934 -1.967 1.389 0.00 0.00 +0.041 C BRANCH 32 35 ATOM 35 O LIG 1 -6.745 -1.743 -0.848 0.00 0.00 -0.389 OA ATOM 36 H LIG 1 -7.552 -2.227 -0.599 0.00 0.00 +0.210 HD ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 7