REMARK Name = BDB025124 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.289 -0.745 0.469 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.280 -0.613 1.440 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.537 -1.041 2.838 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.534 -0.099 3.536 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.289 -1.125 3.731 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.114 -1.678 2.959 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.851 -0.746 1.813 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.540 -0.399 1.425 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.652 -0.788 1.981 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.599 -0.222 1.259 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -1.049 0.566 0.261 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.325 0.442 0.341 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.385 0.964 -0.405 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.684 0.607 -0.020 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.940 -0.240 1.068 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.193 -0.470 -0.723 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.794 1.345 -0.725 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.510 2.858 -0.649 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.839 3.596 -1.956 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.971 2.908 -2.723 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.609 1.475 -3.121 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.642 0.795 -2.149 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.191 5.035 -1.656 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.295 5.550 -1.708 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.114 5.756 -1.290 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.468 6.656 -1.125 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.489 -1.462 0.033 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.439 -1.277 0.984 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -3.069 -0.426 1.493 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -3.765 -1.213 0.403 0.00 0.00 -0.040 A ATOM 31 C LIG 1 -3.242 -2.436 -0.049 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -3.877 -3.161 -1.066 0.00 0.00 -0.050 A ATOM 33 C LIG 1 -3.315 -4.475 -1.524 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -5.071 -2.674 -1.606 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -5.613 -1.472 -1.151 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -4.967 -0.748 -0.150 0.00 0.00 +0.004 A ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6