REMARK Name = BDB055477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.075 0.183 0.676 0.00 0.00 +0.127 A ATOM 2 N LIG 1 0.512 1.137 -0.081 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 1.278 1.772 -0.968 0.00 0.00 +0.215 A ATOM 4 N LIG 1 2.583 1.572 -1.133 0.00 0.00 -0.215 NA ATOM 5 C LIG 1 3.156 0.627 -0.364 0.00 0.00 +0.078 A ATOM 6 C LIG 1 2.425 -0.091 0.565 0.00 0.00 +0.072 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.608 0.426 -0.569 0.00 0.00 +0.003 A ATOM 8 C LIG 1 5.195 -0.853 -0.468 0.00 0.00 +0.037 A ATOM 9 C LIG 1 6.578 -0.971 -0.670 0.00 0.00 +0.068 A ATOM 10 C LIG 1 7.398 0.109 -0.968 0.00 0.00 +0.041 A ATOM 11 C LIG 1 8.698 -0.450 -1.089 0.00 0.00 +0.146 A ATOM 12 N LIG 1 8.702 -1.765 -0.893 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 6.822 1.385 -1.075 0.00 0.00 +0.014 A ATOM 14 N LIG 1 7.416 -2.054 -0.640 0.00 0.00 -0.275 N ATOM 15 H LIG 1 7.171 -3.019 -0.455 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 5.438 1.522 -0.878 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 9.806 0.247 -1.383 0.00 0.00 -0.341 N ATOM 18 H LIG 1 9.721 1.115 -1.897 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 10.602 -0.310 -1.673 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 1 22 ATOM 20 C LIG 1 -2.087 -0.414 0.801 0.00 0.00 +0.093 C ATOM 21 C LIG 1 -1.053 0.059 1.848 0.00 0.00 +0.128 C ATOM 22 N LIG 1 0.293 -0.502 1.621 0.00 0.00 -0.313 N ATOM 23 C LIG 1 0.314 -1.970 1.533 0.00 0.00 +0.106 C ATOM 24 C LIG 1 -0.636 -2.462 0.441 0.00 0.00 +0.021 C ATOM 25 C LIG 1 -2.056 -1.946 0.672 0.00 0.00 +0.025 C BRANCH 20 27 ATOM 26 C LIG 1 -4.434 0.139 0.237 0.00 0.00 +0.401 C ATOM 27 N LIG 1 -3.431 0.034 1.151 0.00 0.00 -0.277 N ATOM 28 H LIG 1 -3.731 0.058 2.115 0.00 0.00 +0.152 HD ATOM 29 O LIG 1 -4.312 -0.018 -0.966 0.00 0.00 -0.226 OA BRANCH 26 30 ATOM 30 O LIG 1 -5.580 0.428 0.894 0.00 0.00 -0.445 OA BRANCH 30 32 ATOM 31 C LIG 1 -7.238 -0.698 -0.539 0.00 0.00 +0.055 C ATOM 32 C LIG 1 -6.826 0.597 0.169 0.00 0.00 +0.107 C ATOM 33 C LIG 1 -7.867 0.915 1.253 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -6.751 1.782 -0.800 0.00 0.00 +0.055 C ENDBRANCH 30 32 ENDBRANCH 26 30 ENDBRANCH 20 27 ENDBRANCH 1 22 BRANCH 3 35 ATOM 35 N LIG 1 0.680 2.743 -1.744 0.00 0.00 -0.327 N ATOM 36 H LIG 1 -0.152 3.086 -1.288 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 1.367 3.418 -2.045 0.00 0.00 +0.145 HD ENDBRANCH 3 35 TORSDOF 7