REMARK Name = BDB058656 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.809 2.541 -0.036 0.00 0.00 +0.152 C ATOM 2 N LIG 1 3.377 1.165 -0.067 0.00 0.00 -0.315 N ATOM 3 C LIG 1 2.065 0.748 -0.058 0.00 0.00 +0.072 A ATOM 4 C LIG 1 2.152 -0.633 0.061 0.00 0.00 +0.093 A ATOM 5 C LIG 1 0.979 -1.400 0.126 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -0.267 -0.753 0.058 0.00 0.00 +0.053 A ATOM 7 C LIG 1 -0.321 0.660 -0.067 0.00 0.00 +0.057 A ATOM 8 N LIG 1 3.459 -1.042 0.104 0.00 0.00 -0.214 NA ATOM 9 C LIG 1 0.843 1.433 -0.126 0.00 0.00 +0.053 A ATOM 10 C LIG 1 4.185 0.047 -0.026 0.00 0.00 +0.199 A ENDROOT BRANCH 6 11 ATOM 11 N LIG 1 -1.500 -1.467 0.137 0.00 0.00 -0.328 N ATOM 12 C LIG 1 -1.796 -1.839 1.537 0.00 0.00 +0.105 C ATOM 13 C LIG 1 -3.040 -2.719 1.566 0.00 0.00 +0.024 C ATOM 14 C LIG 1 -2.799 -4.050 0.826 0.00 0.00 +0.017 C ATOM 15 C LIG 1 -1.684 -3.928 -0.227 0.00 0.00 +0.024 C ATOM 16 C LIG 1 -1.638 -2.542 -0.867 0.00 0.00 +0.105 C BRANCH 14 17 ATOM 17 C LIG 1 -4.099 -4.577 0.211 0.00 0.00 +0.159 C BRANCH 17 18 ATOM 18 O LIG 1 -5.070 -4.755 1.233 0.00 0.00 -0.395 OA ATOM 19 H LIG 1 -5.878 -5.089 0.807 0.00 0.00 +0.209 HD ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 6 11 BRANCH 10 20 ATOM 20 N LIG 1 5.545 0.122 -0.062 0.00 0.00 -0.297 N ATOM 21 C LIG 1 6.256 -1.070 0.450 0.00 0.00 +0.136 C ATOM 22 C LIG 1 7.769 -0.892 0.266 0.00 0.00 +0.179 C ATOM 23 O LIG 1 8.171 -0.749 -1.107 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 7.110 -0.291 -1.958 0.00 0.00 +0.179 C ATOM 25 C LIG 1 6.170 0.711 -1.268 0.00 0.00 +0.136 C ENDBRANCH 10 20 BRANCH 7 26 ATOM 26 N LIG 1 -1.624 1.198 -0.139 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -2.324 0.466 -0.074 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -2.015 2.517 -0.232 0.00 0.00 +0.253 C ATOM 29 O LIG 1 -1.249 3.474 -0.238 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -3.461 2.683 -0.328 0.00 0.00 +0.101 A ATOM 31 C LIG 1 -4.184 3.834 -0.054 0.00 0.00 +0.168 A ATOM 32 N LIG 1 -5.527 3.524 -0.301 0.00 0.00 -0.221 N ATOM 33 C LIG 1 -6.524 4.479 -0.121 0.00 0.00 +0.116 A ATOM 34 C LIG 1 -6.214 5.713 0.296 0.00 0.00 +0.039 A ATOM 35 C LIG 1 -4.765 5.947 0.540 0.00 0.00 +0.114 A ATOM 36 N LIG 1 -5.686 2.243 -0.709 0.00 0.00 -0.173 NA ATOM 37 N LIG 1 -3.812 5.080 0.384 0.00 0.00 -0.235 NA ATOM 38 C LIG 1 -4.447 1.754 -0.731 0.00 0.00 +0.150 A ENDBRANCH 28 30 ENDBRANCH 7 26 TORSDOF 6