REMARK Name = BDB023982 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.132 4.911 3.356 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -2.221 4.591 2.200 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -1.925 3.254 1.969 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -0.950 2.986 0.893 0.00 0.00 +0.146 C ATOM 5 C LIG 1 -1.022 1.562 0.467 0.00 0.00 +0.019 A ATOM 6 C LIG 1 -0.379 0.874 -0.596 0.00 0.00 +0.101 A ATOM 7 N LIG 1 -0.724 -0.424 -0.595 0.00 0.00 -0.170 NA ATOM 8 N LIG 1 -1.558 -0.571 0.453 0.00 0.00 -0.264 N ATOM 9 C LIG 1 -1.752 0.596 1.127 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -2.586 0.847 2.326 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -2.147 2.183 2.965 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -1.778 5.498 1.494 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 0.532 1.402 -1.591 0.00 0.00 +0.047 A ATOM 14 C LIG 1 1.762 0.788 -1.820 0.00 0.00 +0.165 A ATOM 15 C LIG 1 2.690 1.228 -2.752 0.00 0.00 +0.111 A ATOM 16 N LIG 1 3.797 0.416 -2.735 0.00 0.00 -0.209 NA ATOM 17 C LIG 1 3.512 -0.483 -1.810 0.00 0.00 +0.230 A ATOM 18 C LIG 1 2.397 2.361 -3.525 0.00 0.00 +0.031 A ATOM 19 C LIG 1 1.166 3.004 -3.324 0.00 0.00 +0.003 A ATOM 20 O LIG 1 2.298 -0.308 -1.202 0.00 0.00 -0.435 OA ATOM 21 C LIG 1 0.250 2.532 -2.375 0.00 0.00 +0.014 A BRANCH 17 22 ATOM 22 C LIG 1 4.305 -1.613 -1.353 0.00 0.00 +0.055 A ATOM 23 C LIG 1 3.849 -2.495 -0.377 0.00 0.00 +0.123 A ATOM 24 N LIG 1 4.551 -3.562 0.085 0.00 0.00 -0.263 NA ATOM 25 C LIG 1 5.771 -3.763 -0.458 0.00 0.00 +0.111 A ATOM 26 C LIG 1 6.319 -2.950 -1.436 0.00 0.00 +0.020 A ATOM 27 C LIG 1 5.573 -1.862 -1.886 0.00 0.00 +0.016 A ENDBRANCH 17 22 ENDBRANCH 6 13 BRANCH 8 28 ATOM 28 C LIG 1 -2.130 -1.885 0.731 0.00 0.00 +0.112 C ATOM 29 C LIG 1 -3.201 -2.244 -0.308 0.00 0.00 +0.055 C ATOM 30 C LIG 1 -3.412 -3.748 -0.337 0.00 0.00 +0.162 C ATOM 31 O LIG 1 -2.233 -4.485 -0.657 0.00 0.00 -0.380 OA ATOM 32 C LIG 1 -0.998 -3.808 -0.417 0.00 0.00 +0.162 C ATOM 33 C LIG 1 -1.052 -2.974 0.853 0.00 0.00 +0.055 C ENDBRANCH 8 28 TORSDOF 3