REMARK Name = BDB035867 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.012 2.331 -0.560 0.00 0.00 +0.009 C ATOM 2 C LIG 1 1.876 1.968 -1.183 0.00 0.00 -0.066 C ATOM 3 C LIG 1 1.375 0.551 -1.375 0.00 0.00 +0.049 C ATOM 4 C LIG 1 -0.063 0.395 -0.853 0.00 0.00 +0.109 C ATOM 5 N LIG 1 -0.955 1.401 -1.468 0.00 0.00 -0.328 N ATOM 6 C LIG 1 -0.508 2.798 -1.244 0.00 0.00 +0.109 C ATOM 7 C LIG 1 0.926 2.997 -1.762 0.00 0.00 +0.049 C ENDROOT BRANCH 1 17 ATOM 8 C LIG 1 7.548 -1.965 1.109 0.00 0.00 +0.019 A ATOM 9 C LIG 1 7.458 -1.937 -0.389 0.00 0.00 +0.252 A ATOM 10 O LIG 1 8.161 -2.652 -1.095 0.00 0.00 -0.268 OA ATOM 11 N LIG 1 6.548 -1.073 -0.943 0.00 0.00 -0.321 N ATOM 12 H LIG 1 6.505 -1.065 -1.953 0.00 0.00 +0.169 HD ATOM 13 C LIG 1 5.711 -0.248 -0.182 0.00 0.00 +0.068 A ATOM 14 C LIG 1 5.782 -0.282 1.210 0.00 0.00 +0.088 A ATOM 15 N LIG 1 5.014 0.477 2.020 0.00 0.00 -0.253 NA ATOM 16 C LIG 1 4.136 1.305 1.403 0.00 0.00 +0.119 A ATOM 17 C LIG 1 3.986 1.406 0.020 0.00 0.00 -0.005 A ATOM 18 C LIG 1 4.801 0.609 -0.788 0.00 0.00 +0.037 A ATOM 19 C LIG 1 6.738 -1.183 1.845 0.00 0.00 +0.038 A BRANCH 8 21 ATOM 20 C LIG 1 9.963 -2.388 1.658 0.00 0.00 +0.009 C ATOM 21 C LIG 1 8.537 -2.918 1.721 0.00 0.00 +0.037 C ENDBRANCH 8 21 ENDBRANCH 1 17 BRANCH 5 22 ATOM 22 C LIG 1 -2.340 1.223 -1.310 0.00 0.00 +0.048 A ATOM 23 C LIG 1 -2.935 0.358 -0.383 0.00 0.00 +0.134 A ATOM 24 N LIG 1 -4.270 0.165 -0.221 0.00 0.00 -0.249 NA ATOM 25 C LIG 1 -5.081 0.875 -1.051 0.00 0.00 +0.126 A ATOM 26 C LIG 1 -4.612 1.751 -2.017 0.00 0.00 +0.035 A ATOM 27 C LIG 1 -3.232 1.915 -2.141 0.00 0.00 +0.027 A BRANCH 25 28 ATOM 28 C LIG 1 -6.555 0.665 -0.877 0.00 0.00 +0.267 C ATOM 29 N LIG 1 -6.854 -0.247 0.116 0.00 0.00 -0.278 N ATOM 30 H LIG 1 -6.062 -0.661 0.600 0.00 0.00 +0.155 HD ATOM 31 O LIG 1 -7.359 1.272 -1.575 0.00 0.00 -0.268 OA BRANCH 29 32 ATOM 32 C LIG 1 -8.127 -0.624 0.481 0.00 0.00 +0.072 A ATOM 33 C LIG 1 -8.404 -1.535 1.473 0.00 0.00 +0.131 A ATOM 34 N LIG 1 -9.765 -1.631 1.527 0.00 0.00 -0.273 N ATOM 35 C LIG 1 -10.543 -2.463 2.411 0.00 0.00 +0.172 C ATOM 36 N LIG 1 -10.396 -0.843 0.638 0.00 0.00 -0.178 NA ATOM 37 C LIG 1 -9.393 -0.228 -0.000 0.00 0.00 +0.157 A ENDBRANCH 29 32 ENDBRANCH 25 28 ENDBRANCH 5 22 TORSDOF 5