REMARK Name = BDB037740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.139 1.268 0.336 0.00 0.00 -0.255 N ATOM 2 C LIG 1 0.839 0.766 0.161 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.539 -0.582 0.059 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -0.864 -0.680 -0.152 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -1.398 0.551 -0.149 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 1.587 -1.646 0.147 0.00 0.00 +0.057 C ATOM 7 C LIG 1 2.889 -1.025 -0.416 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -0.378 1.406 0.081 0.00 0.00 -0.246 N ATOM 9 C LIG 1 3.194 0.333 0.260 0.00 0.00 +0.242 C ATOM 10 O LIG 1 4.348 0.588 0.629 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.652 -1.925 -0.330 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.015 -1.845 -0.596 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.839 -0.681 -0.743 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.280 -1.124 -0.712 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.280 -2.619 -0.508 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.749 -0.190 0.342 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.820 -3.066 -0.761 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.118 -3.031 -0.228 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.679 -3.625 -2.123 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.605 -4.060 -3.198 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -0.710 2.826 0.100 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -0.622 3.432 -1.309 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -1.471 4.691 -1.431 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -1.526 5.356 -0.173 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -2.303 4.639 0.789 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -2.084 3.130 0.717 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 4.079 -1.878 -0.305 0.00 0.00 -0.303 N ATOM 28 H LIG 1 4.871 -1.447 0.167 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 4.272 -2.951 -1.143 0.00 0.00 +0.227 C ATOM 30 O LIG 1 3.420 -3.321 -1.945 0.00 0.00 -0.275 OA BRANCH 29 31 ATOM 31 C LIG 1 5.602 -3.647 -0.996 0.00 0.00 +0.214 C BRANCH 31 32 ATOM 32 C LIG 1 6.493 -3.264 -2.089 0.00 0.00 +0.072 C ATOM 33 N LIG 1 7.235 -2.958 -2.928 0.00 0.00 -0.196 NA ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 34 ATOM 34 C LIG 1 1.815 -2.278 1.516 0.00 0.00 -0.001 C ATOM 35 C LIG 1 1.918 -1.475 2.793 0.00 0.00 +0.004 C ATOM 36 C LIG 1 0.740 -2.383 2.574 0.00 0.00 +0.004 C ENDBRANCH 6 34 BRANCH 1 38 ATOM 37 C LIG 1 2.339 2.799 2.268 0.00 0.00 +0.025 C ATOM 38 C LIG 1 2.504 2.613 0.767 0.00 0.00 +0.112 C ENDBRANCH 1 38 TORSDOF 8