REMARK Name = BDB010336 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.433 -0.891 1.102 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.046 -0.775 1.083 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.710 -1.291 2.122 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -2.042 -1.111 1.912 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -2.141 -0.521 0.743 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.191 -1.895 3.202 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.142 -1.934 3.167 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.889 -0.177 0.266 0.00 0.00 -0.307 N ATOM 9 N LIG 1 1.967 -1.477 2.193 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 1.832 -2.553 4.321 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.175 -2.580 4.337 0.00 0.00 -0.269 N ATOM 12 H LIG 1 3.794 -2.210 3.635 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.541 -3.183 5.473 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.688 -3.388 5.837 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 2.408 -3.534 6.163 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 1.299 -3.099 5.366 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 2.243 -0.439 0.065 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.813 -0.631 -0.833 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 4.402 0.253 0.991 0.00 0.00 +0.028 C ATOM 20 C LIG 1 3.672 -0.762 0.108 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 4.250 -0.684 -1.311 0.00 0.00 +0.009 C ATOM 22 C LIG 1 3.792 -1.788 -2.307 0.00 0.00 +0.005 C ATOM 23 C LIG 1 5.217 -1.749 -2.894 0.00 0.00 +0.001 C ATOM 24 C LIG 1 5.690 -1.233 -1.520 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 N LIG 1 -3.293 -0.186 0.099 0.00 0.00 -0.303 N ATOM 26 C LIG 1 -4.422 0.135 0.967 0.00 0.00 +0.132 C BRANCH 25 27 ATOM 27 C LIG 1 -3.594 -0.813 -1.202 0.00 0.00 +0.113 C BRANCH 27 28 ATOM 28 C LIG 1 -4.237 -2.231 -1.206 0.00 0.00 -0.022 C ATOM 29 C LIG 1 -5.728 -2.200 -0.825 0.00 0.00 +0.012 C ATOM 30 C LIG 1 -3.502 -3.231 -0.302 0.00 0.00 +0.012 C ATOM 31 C LIG 1 -4.152 -2.760 -2.658 0.00 0.00 +0.012 C ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 32 ATOM 32 C LIG 1 -0.613 0.790 -0.784 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 -0.059 2.137 -0.272 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -1.092 2.863 0.616 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -0.848 4.367 0.639 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -1.039 4.985 -0.757 0.00 0.00 -0.014 C ATOM 37 C LIG 1 -0.272 6.304 -0.858 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -0.646 4.017 -1.889 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.416 3.015 -1.448 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 9