REMARK Name = BDB008032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.174 0.517 0.552 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.874 1.854 0.763 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.271 1.970 1.136 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -2.554 3.315 1.349 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -3.819 3.788 1.725 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -4.835 2.846 1.892 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -4.596 1.491 1.699 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -6.408 3.374 2.352 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -1.391 4.000 1.140 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -1.282 5.001 1.246 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -3.321 1.046 1.327 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -0.369 3.163 0.747 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 0.910 3.756 0.456 0.00 0.00 +0.354 C ATOM 14 O LIG 1 1.287 4.864 0.806 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 1.659 3.005 -0.364 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 2.494 3.512 -0.432 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 C LIG 1 -0.813 1.585 -2.247 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -0.886 0.126 -1.903 0.00 0.00 +0.214 C ATOM 19 N LIG 1 -0.664 -0.297 -0.601 0.00 0.00 -0.282 N ATOM 20 O LIG 1 -1.129 -0.676 -2.810 0.00 0.00 -0.276 OA BRANCH 19 21 ATOM 21 C LIG 1 -0.666 -1.754 -0.379 0.00 0.00 +0.144 C BRANCH 21 22 ATOM 22 C LIG 1 -1.950 -2.271 0.221 0.00 0.00 -0.030 A ATOM 23 C LIG 1 -3.112 -2.360 -0.560 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -4.303 -2.832 -0.007 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -4.346 -3.223 1.329 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.197 -3.145 2.114 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -2.004 -2.673 1.564 0.00 0.00 +0.005 A ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 28 ATOM 28 C LIG 1 1.371 0.516 0.705 0.00 0.00 +0.238 C ATOM 29 N LIG 1 2.075 0.012 -0.376 0.00 0.00 -0.311 N ATOM 30 H LIG 1 1.547 -0.402 -1.134 0.00 0.00 +0.149 HD ATOM 31 O LIG 1 1.935 0.938 1.716 0.00 0.00 -0.273 OA BRANCH 29 32 ATOM 32 C LIG 1 3.520 -0.167 -0.355 0.00 0.00 +0.073 C ATOM 33 C LIG 1 4.083 -0.136 -1.786 0.00 0.00 +0.022 C ATOM 34 C LIG 1 4.161 -1.532 -2.393 0.00 0.00 +0.002 C ATOM 35 C LIG 1 5.079 -2.453 -1.586 0.00 0.00 +0.000 C ATOM 36 C LIG 1 5.171 -2.079 -0.106 0.00 0.00 +0.002 C ATOM 37 C LIG 1 3.875 -1.461 0.400 0.00 0.00 +0.022 C ENDBRANCH 29 32 ENDBRANCH 1 28 TORSDOF 8