REMARK Name = BDB024435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.163 2.201 0.694 0.00 0.00 -0.269 N ATOM 2 H LIG 1 -0.251 3.010 1.292 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 -1.328 1.912 0.045 0.00 0.00 +0.240 C ATOM 4 O LIG 1 -2.257 2.715 0.220 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 3.607 0.428 0.554 0.00 0.00 +0.003 A ATOM 6 C LIG 1 2.552 0.034 -0.260 0.00 0.00 +0.121 A ATOM 7 N LIG 1 1.317 0.596 -0.248 0.00 0.00 -0.240 NA ATOM 8 C LIG 1 1.086 1.587 0.623 0.00 0.00 +0.125 A ATOM 9 C LIG 1 2.080 2.062 1.471 0.00 0.00 +0.044 A ATOM 10 C LIG 1 3.349 1.477 1.436 0.00 0.00 +0.013 A BRANCH 5 14 ATOM 11 N LIG 1 6.904 -0.969 1.003 0.00 0.00 -0.262 N ATOM 12 N LIG 1 6.728 -1.396 -0.266 0.00 0.00 -0.179 NA ATOM 13 C LIG 1 5.511 -0.944 -0.580 0.00 0.00 +0.143 A ATOM 14 C LIG 1 4.904 -0.218 0.473 0.00 0.00 +0.021 A ATOM 15 C LIG 1 5.840 -0.260 1.486 0.00 0.00 +0.117 A BRANCH 11 16 ATOM 16 C LIG 1 8.130 -1.292 1.705 0.00 0.00 +0.239 C BRANCH 16 20 ATOM 17 C LIG 1 10.612 0.289 -0.684 0.00 0.00 +0.128 C ATOM 18 N LIG 1 9.620 -0.562 -0.079 0.00 0.00 -0.317 N ATOM 19 H LIG 1 8.906 -0.969 -0.685 0.00 0.00 +0.148 HD ATOM 20 C LIG 1 9.270 -0.412 1.249 0.00 0.00 +0.234 C ATOM 21 O LIG 1 9.859 0.341 2.022 0.00 0.00 -0.274 OA ENDBRANCH 16 20 ENDBRANCH 11 16 ENDBRANCH 5 14 ENDBRANCH 1 8 BRANCH 3 22 ATOM 22 C LIG 1 -1.489 0.664 -0.875 0.00 0.00 +0.171 C BRANCH 22 23 ATOM 23 C LIG 1 -1.461 -0.679 -0.151 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -1.871 -0.825 1.185 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -1.847 -2.077 1.804 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -1.424 -3.200 1.096 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -1.030 -3.076 -0.234 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -1.053 -1.826 -0.854 0.00 0.00 +0.005 A ENDBRANCH 22 23 BRANCH 22 29 ATOM 29 N LIG 1 -2.690 0.823 -1.760 0.00 0.00 -0.301 NA ATOM 30 H LIG 1 -2.719 1.810 -2.024 0.00 0.00 +0.123 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.968 0.490 -1.112 0.00 0.00 +0.089 C BRANCH 31 32 ATOM 32 C LIG 1 -5.179 0.903 -1.985 0.00 0.00 +0.030 C ATOM 33 C LIG 1 -5.196 0.183 -3.339 0.00 0.00 +0.014 C BRANCH 32 34 ATOM 34 C LIG 1 -6.486 0.683 -1.232 0.00 0.00 -0.043 A ATOM 35 C LIG 1 -6.928 -0.603 -0.886 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -8.125 -0.782 -0.187 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -8.897 0.324 0.178 0.00 0.00 +0.052 A ATOM 38 C LIG 1 -8.465 1.609 -0.159 0.00 0.00 +0.019 A ATOM 39 C LIG 1 -7.268 1.787 -0.858 0.00 0.00 +0.005 A BRANCH 37 40 ATOM 40 C LIG 1 -10.124 0.141 0.895 0.00 0.00 +0.099 C ATOM 41 N LIG 1 -11.117 -0.007 1.478 0.00 0.00 -0.191 NA ENDBRANCH 37 40 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 22 29 ENDBRANCH 3 22 TORSDOF 11