REMARK Name = BDB024749 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.627 1.440 0.164 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.840 0.436 -0.430 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.514 -0.753 -0.991 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.732 -1.821 0.088 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.791 -1.293 -2.221 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.367 -1.665 -1.881 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.673 -0.548 -1.154 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.258 -0.516 -1.142 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.377 -1.392 -1.717 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.837 -0.959 -1.428 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.770 0.212 -0.693 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.574 0.489 -0.481 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.246 1.494 0.213 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.648 1.451 0.213 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.389 0.460 -0.454 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.239 2.514 0.609 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.842 1.039 -0.144 0.00 0.00 +0.092 C ATOM 18 C LIG 1 -2.312 0.547 1.234 0.00 0.00 +0.044 C ATOM 19 C LIG 1 -3.788 0.842 1.494 0.00 0.00 +0.110 C ATOM 20 N LIG 1 -4.121 2.171 0.991 0.00 0.00 -0.299 N ATOM 21 C LIG 1 -3.905 2.421 -0.445 0.00 0.00 +0.110 C ATOM 22 C LIG 1 -3.010 1.356 -1.079 0.00 0.00 +0.044 C BRANCH 20 23 ATOM 23 C LIG 1 -5.067 2.956 1.586 0.00 0.00 +0.235 A ATOM 24 N LIG 1 -5.468 2.831 2.891 0.00 0.00 -0.227 N ATOM 25 H LIG 1 -5.155 2.192 3.606 0.00 0.00 +0.194 HD ATOM 26 N LIG 1 -6.402 3.743 3.188 0.00 0.00 -0.045 NA ATOM 27 N LIG 1 -6.560 4.441 2.074 0.00 0.00 -0.022 NA ATOM 28 N LIG 1 -5.734 3.974 1.080 0.00 0.00 -0.092 NA ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 30 ATOM 29 C LIG 1 7.806 2.090 0.788 0.00 0.00 +0.282 C ATOM 30 O LIG 1 6.955 1.104 0.199 0.00 0.00 -0.453 OA ENDBRANCH 1 30 BRANCH 10 31 ATOM 31 C LIG 1 -2.070 -1.691 -1.873 0.00 0.00 +0.109 C BRANCH 31 32 ATOM 32 C LIG 1 -2.836 -2.388 -0.770 0.00 0.00 -0.040 A ATOM 33 C LIG 1 -2.174 -3.160 0.197 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -2.892 -3.821 1.195 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.282 -3.737 1.227 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.956 -3.000 0.255 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.238 -2.337 -0.743 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 5