REMARK Name = BDB041137 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.972 0.655 3.232 0.00 0.00 +0.178 A ATOM 2 C LIG 1 -1.160 0.422 1.867 0.00 0.00 +0.165 A ATOM 3 N LIG 1 -2.385 0.395 1.308 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 -3.439 0.625 2.112 0.00 0.00 +0.169 A ATOM 5 N LIG 1 -3.363 0.858 3.434 0.00 0.00 -0.232 NA ATOM 6 C LIG 1 -2.123 0.873 3.960 0.00 0.00 +0.162 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.760 0.562 1.512 0.00 0.00 +0.102 A ATOM 8 C LIG 1 -5.270 -0.611 0.955 0.00 0.00 +0.062 A ATOM 9 N LIG 1 -6.505 -0.649 0.387 0.00 0.00 -0.239 NA ATOM 10 C LIG 1 -7.221 0.480 0.390 0.00 0.00 +0.225 A ATOM 11 N LIG 1 -6.833 1.651 0.896 0.00 0.00 -0.201 NA ATOM 12 C LIG 1 -5.602 1.664 1.449 0.00 0.00 +0.229 A BRANCH 8 13 ATOM 13 C LIG 1 -4.479 -1.909 0.946 0.00 0.00 +0.039 C ATOM 14 C LIG 1 -4.239 -2.658 2.239 0.00 0.00 +0.010 C ATOM 15 C LIG 1 -5.172 -3.227 1.214 0.00 0.00 +0.010 C ENDBRANCH 8 13 BRANCH 12 16 ATOM 16 O LIG 1 -5.126 2.864 1.950 0.00 0.00 -0.479 OA ATOM 17 C LIG 1 -6.081 3.919 1.922 0.00 0.00 +0.279 C ENDBRANCH 12 16 ENDBRANCH 4 7 BRANCH 1 19 ATOM 18 C LIG 1 0.469 0.772 5.116 0.00 0.00 +0.277 C ATOM 19 O LIG 1 0.310 0.674 3.706 0.00 0.00 -0.490 OA ENDBRANCH 1 19 BRANCH 2 20 ATOM 20 N LIG 1 -0.036 0.115 1.073 0.00 0.00 -0.322 N ATOM 21 H LIG 1 0.743 0.701 1.364 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -0.269 0.155 -0.361 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 C LIG 1 1.045 -0.061 -1.079 0.00 0.00 -0.030 A ATOM 24 C LIG 1 1.663 0.983 -1.779 0.00 0.00 +0.009 A ATOM 25 C LIG 1 2.883 0.779 -2.437 0.00 0.00 +0.046 A ATOM 26 C LIG 1 3.502 -0.470 -2.398 0.00 0.00 +0.121 A ATOM 27 C LIG 1 2.891 -1.512 -1.698 0.00 0.00 +0.046 A ATOM 28 C LIG 1 1.675 -1.312 -1.041 0.00 0.00 +0.009 A BRANCH 26 29 ATOM 29 O LIG 1 4.688 -0.801 -2.993 0.00 0.00 -0.486 OA BRANCH 29 30 ATOM 30 C LIG 1 5.378 0.239 -3.690 0.00 0.00 +0.284 C BRANCH 30 31 ATOM 31 C LIG 1 6.685 -0.280 -4.250 0.00 0.00 +0.078 A ATOM 32 N LIG 1 7.037 0.141 -5.493 0.00 0.00 -0.256 NA ATOM 33 C LIG 1 8.216 -0.295 -5.988 0.00 0.00 +0.111 A ATOM 34 C LIG 1 9.083 -1.125 -5.299 0.00 0.00 +0.020 A ATOM 35 C LIG 1 8.721 -1.535 -4.023 0.00 0.00 +0.003 A ATOM 36 C LIG 1 7.510 -1.106 -3.486 0.00 0.00 +0.027 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 2 20 TORSDOF 10