REMARK Name = BDB054287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.426 -0.514 -2.520 0.00 0.00 +0.035 A ATOM 2 C LIG 1 -1.709 0.002 -2.731 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -2.759 -0.834 -3.120 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.547 -2.207 -3.291 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -1.252 -2.711 -3.130 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.203 -1.873 -2.737 0.00 0.00 +0.023 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 2.477 1.122 -1.101 0.00 0.00 -0.269 N ATOM 8 H LIG 1 1.806 1.593 -0.518 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 1.914 0.127 -1.889 0.00 0.00 +0.308 C ATOM 10 N LIG 1 0.555 0.372 -2.036 0.00 0.00 -0.269 N ATOM 11 H LIG 1 0.271 1.330 -1.906 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 2.510 -0.825 -2.374 0.00 0.00 -0.252 OA BRANCH 7 14 ATOM 13 C LIG 1 4.190 2.191 0.281 0.00 0.00 -0.012 A ATOM 14 C LIG 1 3.838 1.293 -0.754 0.00 0.00 +0.039 A ATOM 15 C LIG 1 4.858 0.597 -1.420 0.00 0.00 +0.023 A ATOM 16 C LIG 1 6.197 0.746 -1.051 0.00 0.00 +0.002 A ATOM 17 C LIG 1 6.543 1.597 -0.011 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.548 2.312 0.649 0.00 0.00 +0.007 A BRANCH 13 19 ATOM 19 C LIG 1 3.194 3.046 1.045 0.00 0.00 +0.120 C BRANCH 19 21 ATOM 20 C LIG 1 2.167 1.277 2.377 0.00 0.00 +0.104 C ATOM 21 N LIG 1 2.893 2.548 2.398 0.00 0.00 -0.304 NA ATOM 22 C LIG 1 2.122 3.548 3.139 0.00 0.00 +0.104 C ENDBRANCH 19 21 ENDBRANCH 13 19 ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 4 23 ATOM 23 C LIG 1 -3.707 -3.127 -3.593 0.00 0.00 +0.054 C BRANCH 23 24 ATOM 24 C LIG 1 -3.971 -4.210 -2.526 0.00 0.00 +0.107 C BRANCH 24 25 ATOM 25 N LIG 1 -4.196 -3.638 -1.193 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -4.660 -2.735 -1.220 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.060 -3.601 -0.373 0.00 0.00 +0.134 A ATOM 28 C LIG 1 -2.711 -2.482 0.399 0.00 0.00 +0.098 A ATOM 29 C LIG 1 -1.539 -2.575 1.131 0.00 0.00 +0.234 A ATOM 30 O LIG 1 -1.305 -1.413 1.798 0.00 0.00 -0.435 OA ATOM 31 C LIG 1 -2.322 -0.551 1.498 0.00 0.00 +0.157 A ATOM 32 N LIG 1 -0.711 -3.623 1.212 0.00 0.00 -0.200 NA ATOM 33 C LIG 1 -1.140 -4.637 0.456 0.00 0.00 +0.227 A ATOM 34 C LIG 1 -3.220 -1.180 0.655 0.00 0.00 +0.099 A ATOM 35 CL LIG 1 -4.677 -0.563 0.023 0.00 0.00 -0.079 Cl ATOM 36 N LIG 1 -2.243 -4.682 -0.315 0.00 0.00 -0.220 NA BRANCH 31 37 ATOM 37 C LIG 1 -2.206 0.770 2.108 0.00 0.00 +0.019 A ATOM 38 C LIG 1 -1.605 0.920 3.368 0.00 0.00 +0.011 A ATOM 39 C LIG 1 -1.488 2.179 3.963 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -1.967 3.307 3.304 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -2.558 3.178 2.049 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -2.675 1.918 1.454 0.00 0.00 +0.011 A ENDBRANCH 31 37 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 9