REMARK Name = BDB010349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.794 -0.013 -0.452 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.798 0.090 -1.431 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.905 1.076 -2.400 0.00 0.00 +0.186 A ATOM 4 N LIG 1 0.125 1.034 -3.281 0.00 0.00 -0.192 NA ATOM 5 C LIG 1 0.864 0.001 -2.927 0.00 0.00 +0.219 A ATOM 6 N LIG 1 -1.903 1.968 -2.484 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.818 1.785 -1.528 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.374 -0.580 -1.765 0.00 0.00 -0.305 N ATOM 9 N LIG 1 -2.813 0.862 -0.553 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.961 2.725 -1.556 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.020 3.658 -2.521 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.359 3.809 -3.265 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.138 4.364 -2.311 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.532 5.302 -2.985 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.771 3.857 -1.202 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.958 2.774 -0.733 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 1.974 -0.357 -3.714 0.00 0.00 -0.276 N ATOM 18 C LIG 1 2.835 -1.429 -3.650 0.00 0.00 +0.206 A ATOM 19 N LIG 1 3.771 -1.399 -4.575 0.00 0.00 -0.244 NA ATOM 20 C LIG 1 3.511 -0.278 -5.305 0.00 0.00 +0.130 A ATOM 21 C LIG 1 2.412 0.372 -4.807 0.00 0.00 +0.115 A ENDBRANCH 5 17 BRANCH 1 22 ATOM 22 N LIG 1 -1.788 -0.952 0.568 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -0.864 -1.084 0.955 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -4.202 -1.272 1.109 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -2.804 -0.951 1.633 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -2.799 0.321 2.482 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -1.474 0.652 3.227 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -2.343 1.168 4.392 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -3.450 0.219 3.891 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 8 30 ATOM 30 C LIG 1 0.951 -1.683 -1.019 0.00 0.00 +0.129 C BRANCH 30 31 ATOM 31 C LIG 1 2.224 -1.319 -0.227 0.00 0.00 +0.009 C ATOM 32 C LIG 1 2.806 -2.566 0.447 0.00 0.00 +0.005 C ATOM 33 C LIG 1 4.162 -2.280 1.099 0.00 0.00 +0.003 C ATOM 34 C LIG 1 4.255 -0.908 1.792 0.00 0.00 -0.014 C ATOM 35 C LIG 1 5.139 0.061 1.002 0.00 0.00 +0.007 C ATOM 36 C LIG 1 2.869 -0.315 2.056 0.00 0.00 +0.003 C ATOM 37 C LIG 1 2.004 -0.190 0.799 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 7