REMARK Name = BDB023877 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.522 -1.309 3.256 0.00 0.00 -0.046 A ATOM 2 C LIG 1 2.719 -1.396 2.537 0.00 0.00 +0.012 A ATOM 3 C LIG 1 2.768 -1.117 1.160 0.00 0.00 -0.014 A ATOM 4 C LIG 1 1.593 -0.735 0.481 0.00 0.00 +0.010 A ATOM 5 C LIG 1 1.738 -0.472 -0.891 0.00 0.00 +0.120 A ATOM 6 N LIG 1 2.900 -0.550 -1.587 0.00 0.00 -0.254 NA ATOM 7 C LIG 1 4.005 -0.922 -0.905 0.00 0.00 +0.075 A ATOM 8 C LIG 1 0.378 -0.632 1.212 0.00 0.00 +0.012 A ATOM 9 C LIG 1 3.978 -1.210 0.454 0.00 0.00 +0.037 A ATOM 10 C LIG 1 0.357 -0.922 2.586 0.00 0.00 +0.014 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -0.870 -0.212 0.579 0.00 0.00 +0.098 A ATOM 12 C LIG 1 -1.674 0.913 0.898 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -1.498 1.975 1.925 0.00 0.00 +0.146 C ATOM 14 N LIG 1 -2.505 3.040 1.746 0.00 0.00 -0.297 N ATOM 15 C LIG 1 -3.854 2.632 1.294 0.00 0.00 +0.114 C ATOM 16 C LIG 1 -3.838 1.839 -0.031 0.00 0.00 +0.074 C ATOM 17 C LIG 1 -2.255 4.225 2.427 0.00 0.00 +0.213 C ATOM 18 O LIG 1 -1.226 4.410 3.077 0.00 0.00 -0.276 OA ATOM 19 C LIG 1 -3.298 5.309 2.339 0.00 0.00 +0.109 C ATOM 20 C LIG 1 -2.734 0.852 0.019 0.00 0.00 +0.046 A ATOM 21 N LIG 1 -2.525 -0.236 -0.773 0.00 0.00 -0.264 N ATOM 22 N LIG 1 -1.410 -0.911 -0.432 0.00 0.00 -0.170 NA BRANCH 21 23 ATOM 23 C LIG 1 -3.343 -0.706 -1.884 0.00 0.00 +0.112 C ATOM 24 C LIG 1 -4.076 -2.004 -1.538 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -4.889 -2.473 -2.735 0.00 0.00 +0.162 C ATOM 26 O LIG 1 -4.062 -2.621 -3.886 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -3.438 -1.401 -4.282 0.00 0.00 +0.162 C ATOM 28 C LIG 1 -2.537 -0.871 -3.177 0.00 0.00 +0.055 C ENDBRANCH 21 23 ENDBRANCH 8 11 BRANCH 7 29 ATOM 29 C LIG 1 5.237 -1.003 -1.674 0.00 0.00 +0.038 A ATOM 30 C LIG 1 5.335 -0.753 -3.029 0.00 0.00 +0.118 A ATOM 31 N LIG 1 6.641 -0.936 -3.365 0.00 0.00 -0.274 N ATOM 32 C LIG 1 7.229 -0.790 -4.675 0.00 0.00 +0.172 C ATOM 33 N LIG 1 7.418 -1.290 -2.325 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 6.561 -1.330 -1.300 0.00 0.00 +0.144 A ENDBRANCH 7 29 BRANCH 1 36 ATOM 35 C LIG 1 1.707 -0.341 5.561 0.00 0.00 +0.009 C ATOM 36 C LIG 1 1.493 -1.600 4.735 0.00 0.00 +0.032 C ENDBRANCH 1 36 TORSDOF 4