REMARK Name = BDB010379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.590 -1.415 1.380 0.00 0.00 +0.199 A ATOM 2 N LIG 1 0.683 -1.219 0.356 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.550 -1.659 0.795 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.296 -2.112 2.081 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -1.221 -2.649 2.891 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.420 -2.718 2.312 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.771 -2.305 1.071 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.839 -1.746 0.271 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.010 -1.948 2.427 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.522 -3.308 3.104 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.736 -3.425 2.541 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.997 -3.157 1.607 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.539 -3.982 3.456 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.721 -4.245 3.304 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.808 -4.207 4.596 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.478 -3.748 4.320 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 2.888 -1.083 1.271 0.00 0.00 -0.303 N ATOM 18 H LIG 1 3.298 -0.581 0.491 0.00 0.00 +0.150 HD BRANCH 17 19 ATOM 19 C LIG 1 3.793 -1.226 2.420 0.00 0.00 +0.159 C ATOM 20 C LIG 1 3.597 -0.039 3.369 0.00 0.00 +0.038 C BRANCH 19 24 ATOM 21 C LIG 1 8.197 -0.829 0.170 0.00 0.00 +0.091 C ATOM 22 C LIG 1 7.125 -1.161 1.126 0.00 0.00 +0.169 A ATOM 23 N LIG 1 5.819 -0.790 0.931 0.00 0.00 -0.195 NA ATOM 24 C LIG 1 5.235 -1.285 2.005 0.00 0.00 +0.247 A ATOM 25 O LIG 1 6.096 -1.930 2.844 0.00 0.00 -0.336 OA ATOM 26 N LIG 1 7.360 -1.840 2.256 0.00 0.00 -0.062 NA ENDBRANCH 19 24 ENDBRANCH 17 19 ENDBRANCH 1 17 BRANCH 8 27 ATOM 27 N LIG 1 -2.190 -1.317 -0.999 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -1.587 -0.604 -1.383 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.606 -1.113 -1.319 0.00 0.00 +0.072 C ATOM 30 C LIG 1 -3.740 -1.166 -2.842 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 -4.108 0.208 -0.721 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -5.498 0.780 -1.122 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -4.899 2.185 -0.897 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -3.516 1.568 -1.193 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 2 35 ATOM 35 C LIG 1 0.992 -0.706 -0.967 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 0.676 0.793 -1.135 0.00 0.00 +0.009 C ATOM 37 C LIG 1 0.635 1.151 -2.628 0.00 0.00 +0.005 C ATOM 38 C LIG 1 0.348 2.634 -2.853 0.00 0.00 +0.003 C ATOM 39 C LIG 1 1.359 3.522 -2.118 0.00 0.00 -0.014 C ATOM 40 C LIG 1 1.023 4.999 -2.317 0.00 0.00 +0.007 C ATOM 41 C LIG 1 1.403 3.172 -0.626 0.00 0.00 +0.003 C ATOM 42 C LIG 1 1.687 1.688 -0.399 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 9