REMARK Name = BDB024748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.575 -1.093 -0.099 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.719 0.018 -0.223 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.417 1.308 -0.388 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.044 1.416 -1.788 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.537 2.516 -0.076 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.277 2.469 -0.914 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.568 1.165 -0.686 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.162 1.105 -0.830 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.295 2.101 -1.201 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.914 1.576 -1.163 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.853 0.238 -0.813 0.00 0.00 -0.323 N ATOM 12 C LIG 1 0.472 -0.068 -0.563 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.127 -1.216 -0.126 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.524 -1.154 -0.004 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.276 -0.010 -0.321 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.774 -0.991 0.158 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.984 -0.676 -0.700 0.00 0.00 +0.106 C ATOM 18 C LIG 1 -2.297 -1.040 0.763 0.00 0.00 +0.133 C ATOM 19 N LIG 1 -3.469 -1.929 0.823 0.00 0.00 -0.297 N ATOM 20 C LIG 1 -3.547 -3.053 -0.104 0.00 0.00 +0.108 C ATOM 21 C LIG 1 -2.260 -3.210 -0.911 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -1.865 -1.914 -1.617 0.00 0.00 +0.028 C BRANCH 19 23 ATOM 23 C LIG 1 -4.315 -1.796 1.882 0.00 0.00 +0.235 A ATOM 24 N LIG 1 -5.458 -2.536 2.040 0.00 0.00 -0.227 N ATOM 25 H LIG 1 -5.846 -3.254 1.448 0.00 0.00 +0.194 HD ATOM 26 N LIG 1 -6.101 -2.182 3.159 0.00 0.00 -0.045 NA ATOM 27 N LIG 1 -5.356 -1.224 3.687 0.00 0.00 -0.022 NA ATOM 28 N LIG 1 -4.252 -0.973 2.908 0.00 0.00 -0.092 NA ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 30 ATOM 29 C LIG 1 5.896 -3.411 -0.298 0.00 0.00 +0.282 C ATOM 30 O LIG 1 5.002 -2.299 -0.364 0.00 0.00 -0.453 OA ENDBRANCH 1 30 BRANCH 10 31 ATOM 31 C LIG 1 -2.174 2.347 -1.439 0.00 0.00 +0.109 C BRANCH 31 32 ATOM 32 C LIG 1 -3.033 2.559 -0.210 0.00 0.00 -0.040 A ATOM 33 C LIG 1 -4.381 2.171 -0.206 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -5.160 2.334 0.941 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.606 2.900 2.087 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.276 3.314 2.087 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.494 3.150 0.943 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 5