REMARK Name = BDB029374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.421 0.574 -0.051 0.00 0.00 -0.018 A ATOM 2 C LIG 1 -0.899 0.416 -1.345 0.00 0.00 +0.009 A ATOM 3 C LIG 1 0.448 0.677 -1.618 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.312 1.099 -0.601 0.00 0.00 -0.033 A ATOM 5 C LIG 1 0.796 1.265 0.692 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.550 1.003 0.962 0.00 0.00 +0.009 A ENDROOT BRANCH 1 15 ATOM 7 O LIG 1 -7.688 -2.963 0.318 0.00 0.00 -0.275 OA ATOM 8 C LIG 1 -6.803 -2.127 0.395 0.00 0.00 +0.222 C ATOM 9 N LIG 1 -5.491 -2.293 -0.033 0.00 0.00 -0.285 N ATOM 10 H LIG 1 -5.156 -3.147 -0.452 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 -4.739 -1.152 0.199 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -5.536 -0.179 0.796 0.00 0.00 -0.017 A ATOM 13 C LIG 1 -5.010 1.052 1.128 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -3.658 1.284 0.844 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -2.839 0.297 0.234 0.00 0.00 -0.016 A ATOM 16 C LIG 1 -3.406 -0.948 -0.092 0.00 0.00 +0.032 A ATOM 17 C LIG 1 -6.925 -0.713 0.975 0.00 0.00 +0.133 C ENDBRANCH 1 15 BRANCH 4 18 ATOM 18 C LIG 1 2.766 1.403 -0.896 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 3.703 0.699 -0.014 0.00 0.00 -0.296 NA ATOM 20 C LIG 1 3.724 -0.753 -0.228 0.00 0.00 +0.100 C ATOM 21 C LIG 1 4.649 -1.477 0.786 0.00 0.00 +0.096 C ATOM 22 N LIG 1 5.834 -0.724 1.226 0.00 0.00 -0.314 NA ATOM 23 H LIG 1 6.605 -1.361 1.412 0.00 0.00 +0.122 HD ATOM 24 C LIG 1 6.213 0.279 0.233 0.00 0.00 +0.096 C ATOM 25 C LIG 1 5.065 1.258 -0.129 0.00 0.00 +0.100 C ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 3