REMARK Name = BDB042157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.359 -0.227 2.116 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.809 -1.468 1.696 0.00 0.00 -0.289 N ATOM 3 C LIG 1 -0.685 -1.988 0.337 0.00 0.00 +0.091 C ATOM 4 C LIG 1 -1.695 -1.225 -0.572 0.00 0.00 +0.108 C ATOM 5 N LIG 1 -3.086 -1.293 -0.080 0.00 0.00 -0.288 NA ATOM 6 C LIG 1 -3.235 -1.224 1.390 0.00 0.00 +0.108 C ATOM 7 C LIG 1 -1.101 -3.455 0.514 0.00 0.00 +0.025 C ATOM 8 C LIG 1 -2.034 -3.443 1.738 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -2.098 -1.968 2.155 0.00 0.00 +0.091 C ATOM 10 O LIG 1 -0.940 0.456 2.955 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 17 ATOM 11 N LIG 1 5.269 0.493 0.037 0.00 0.00 -0.282 N ATOM 12 C LIG 1 4.523 1.658 -0.075 0.00 0.00 +0.248 C ATOM 13 O LIG 1 4.871 2.742 -0.499 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 3.183 1.355 0.440 0.00 0.00 +0.042 A ATOM 15 C LIG 1 3.191 0.047 0.924 0.00 0.00 -0.017 A ATOM 16 C LIG 1 2.046 -0.500 1.478 0.00 0.00 +0.019 A ATOM 17 C LIG 1 0.891 0.298 1.519 0.00 0.00 +0.037 A ATOM 18 C LIG 1 0.904 1.628 1.048 0.00 0.00 +0.014 A ATOM 19 C LIG 1 2.066 2.169 0.492 0.00 0.00 +0.014 A ATOM 20 C LIG 1 4.552 -0.543 0.768 0.00 0.00 +0.144 C BRANCH 11 27 ATOM 21 O LIG 1 10.599 1.807 -0.451 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 9.422 1.463 -0.396 0.00 0.00 +0.219 C ATOM 23 N LIG 1 8.720 1.534 0.781 0.00 0.00 -0.255 N ATOM 24 H LIG 1 9.220 1.912 1.574 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 7.459 1.050 1.044 0.00 0.00 +0.240 C ATOM 26 O LIG 1 7.026 1.034 2.196 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 6.715 0.425 -0.148 0.00 0.00 +0.163 C ATOM 28 C LIG 1 7.198 1.038 -1.462 0.00 0.00 +0.041 C ATOM 29 C LIG 1 8.703 0.857 -1.579 0.00 0.00 +0.098 C ENDBRANCH 11 27 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -4.058 -0.529 -0.892 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 C LIG 1 -5.510 -0.799 -0.477 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -6.255 0.106 0.296 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.568 -0.186 0.672 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.154 -1.391 0.289 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.427 -2.308 -0.465 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.114 -2.017 -0.842 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -3.757 0.949 -1.192 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -4.146 1.466 -2.444 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -3.922 2.804 -2.779 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -3.312 3.656 -1.866 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -2.930 3.172 -0.618 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -3.154 1.833 -0.283 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 5 30 TORSDOF 5