REMARK Name = BDB032827 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.317 -1.175 -0.074 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.583 -0.070 0.322 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.868 1.106 0.215 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.365 -0.575 0.965 0.00 0.00 +0.042 A ATOM 5 C LIG 1 3.445 -1.964 1.013 0.00 0.00 -0.018 A ATOM 6 C LIG 1 2.422 -2.701 1.579 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.319 -2.010 2.098 0.00 0.00 +0.007 A ATOM 8 C LIG 1 1.248 -0.596 2.059 0.00 0.00 -0.010 A ATOM 9 C LIG 1 2.291 0.134 1.472 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.734 -2.417 0.415 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.841 2.426 -0.701 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.181 1.388 -0.699 0.00 0.00 +0.219 C ATOM 13 N LIG 1 8.335 0.471 0.307 0.00 0.00 -0.255 N ATOM 14 H LIG 1 8.960 0.749 1.052 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 7.651 -0.700 0.507 0.00 0.00 +0.240 C ATOM 16 O LIG 1 7.791 -1.337 1.552 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.682 -1.140 -0.590 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.876 -0.399 -1.911 0.00 0.00 +0.041 C ATOM 19 C LIG 1 7.163 1.085 -1.769 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 0.042 0.115 2.622 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 -1.015 0.005 1.664 0.00 0.00 -0.445 OA BRANCH 21 22 ATOM 22 C LIG 1 -2.177 0.581 2.067 0.00 0.00 +0.405 C ATOM 23 N LIG 1 -3.095 0.423 1.068 0.00 0.00 -0.251 N ATOM 24 H LIG 1 -2.729 -0.066 0.261 0.00 0.00 +0.158 HD ATOM 25 O LIG 1 -2.327 1.132 3.146 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 -4.436 0.847 1.042 0.00 0.00 +0.040 A ATOM 27 C LIG 1 -5.177 0.569 -0.110 0.00 0.00 +0.051 A ATOM 28 C LIG 1 -6.513 0.965 -0.183 0.00 0.00 +0.073 A ATOM 29 N LIG 1 -7.119 1.604 0.848 0.00 0.00 -0.255 NA ATOM 30 C LIG 1 -6.382 1.868 1.948 0.00 0.00 +0.113 A ATOM 31 C LIG 1 -5.053 1.516 2.092 0.00 0.00 +0.043 A BRANCH 28 32 ATOM 32 C LIG 1 -7.361 0.711 -1.367 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.848 0.740 -2.677 0.00 0.00 +0.010 A ATOM 34 C LIG 1 -7.666 0.495 -3.786 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -9.019 0.219 -3.608 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -9.555 0.190 -2.324 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -8.734 0.436 -1.218 0.00 0.00 +0.010 A ENDBRANCH 28 32 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 6