REMARK Name = BDB056585 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.207 -0.445 -1.968 0.00 0.00 +0.064 A ATOM 2 N LIG 1 2.599 -0.466 -0.711 0.00 0.00 -0.245 N ATOM 3 C LIG 1 3.204 -0.457 0.564 0.00 0.00 +0.421 C ATOM 4 O LIG 1 2.598 -0.820 1.560 0.00 0.00 -0.223 OA ATOM 5 C LIG 1 1.212 -0.416 -0.920 0.00 0.00 +0.065 A ATOM 6 C LIG 1 0.989 -0.124 -2.265 0.00 0.00 +0.019 A ATOM 7 C LIG 1 -0.323 0.050 -2.711 0.00 0.00 +0.123 A ATOM 8 N LIG 1 -1.366 -0.061 -1.855 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 -1.157 -0.349 -0.556 0.00 0.00 +0.125 A ATOM 10 C LIG 1 0.127 -0.522 -0.035 0.00 0.00 +0.070 A ATOM 11 C LIG 1 2.251 -0.097 -2.901 0.00 0.00 +0.038 A ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 8.004 -2.132 -2.052 0.00 0.00 +0.172 C ATOM 13 N LIG 1 6.732 -1.550 -2.408 0.00 0.00 -0.274 N ATOM 14 N LIG 1 6.546 -1.078 -3.653 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 5.286 -0.636 -3.632 0.00 0.00 +0.144 A ATOM 16 C LIG 1 4.672 -0.805 -2.371 0.00 0.00 +0.036 A ATOM 17 C LIG 1 5.631 -1.429 -1.610 0.00 0.00 +0.118 A ENDBRANCH 1 16 BRANCH 9 18 ATOM 18 N LIG 1 -2.239 -0.456 0.350 0.00 0.00 -0.298 N ATOM 19 H LIG 1 -2.124 -1.288 0.924 0.00 0.00 +0.154 HD BRANCH 18 20 ATOM 20 C LIG 1 -3.612 -0.189 0.125 0.00 0.00 +0.051 A ATOM 21 C LIG 1 -4.598 -0.863 0.877 0.00 0.00 +0.063 A ATOM 22 CL LIG 1 -4.148 -2.089 2.016 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 -5.958 -0.580 0.725 0.00 0.00 +0.035 A ATOM 24 C LIG 1 -6.359 0.414 -0.170 0.00 0.00 +0.038 A ATOM 25 C LIG 1 -5.401 1.096 -0.923 0.00 0.00 +0.015 A ATOM 26 C LIG 1 -4.041 0.807 -0.762 0.00 0.00 +0.025 A BRANCH 24 27 ATOM 27 C LIG 1 -7.793 0.746 -0.371 0.00 0.00 +0.247 C ATOM 28 N LIG 1 -8.616 0.711 0.738 0.00 0.00 -0.297 N ATOM 29 C LIG 1 -9.963 1.286 0.762 0.00 0.00 +0.109 C ATOM 30 C LIG 1 -9.816 1.334 2.284 0.00 0.00 +0.038 C ATOM 31 C LIG 1 -8.304 1.206 2.081 0.00 0.00 +0.109 C ATOM 32 O LIG 1 -8.192 1.035 -1.496 0.00 0.00 -0.270 OA ENDBRANCH 24 27 ENDBRANCH 18 20 ENDBRANCH 9 18 BRANCH 3 33 ATOM 33 O LIG 1 4.434 0.106 0.505 0.00 0.00 -0.442 OA BRANCH 33 34 ATOM 34 C LIG 1 5.170 0.398 1.720 0.00 0.00 +0.107 C ATOM 35 C LIG 1 5.492 -0.878 2.505 0.00 0.00 +0.055 C ATOM 36 C LIG 1 4.422 1.422 2.582 0.00 0.00 +0.055 C ATOM 37 C LIG 1 6.487 1.028 1.243 0.00 0.00 +0.055 C ENDBRANCH 33 34 ENDBRANCH 3 33 TORSDOF 6