REMARK Name = BDB015198 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.061 -2.533 -2.195 0.00 0.00 +0.024 A ATOM 2 C LIG 1 -1.089 -2.103 -1.274 0.00 0.00 +0.055 A ATOM 3 C LIG 1 0.267 -2.151 -1.592 0.00 0.00 +0.119 A ATOM 4 N LIG 1 0.691 -2.585 -2.794 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 -0.238 -3.000 -3.679 0.00 0.00 +0.113 A ATOM 6 C LIG 1 -1.598 -2.995 -3.430 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 -5.769 -1.633 0.732 0.00 0.00 -0.323 N ATOM 8 C LIG 1 -5.155 -2.027 -0.429 0.00 0.00 +0.145 A ATOM 9 C LIG 1 -6.141 -2.311 -1.361 0.00 0.00 +0.037 A ATOM 10 C LIG 1 -5.699 -2.719 -2.614 0.00 0.00 +0.124 A ATOM 11 N LIG 1 -4.371 -2.796 -2.865 0.00 0.00 -0.235 NA ATOM 12 C LIG 1 -3.501 -2.481 -1.875 0.00 0.00 +0.162 A ATOM 13 C LIG 1 -7.391 -2.093 -0.728 0.00 0.00 +0.031 A ATOM 14 N LIG 1 -3.833 -2.102 -0.627 0.00 0.00 -0.210 NA ATOM 15 C LIG 1 -7.135 -1.678 0.564 0.00 0.00 +0.089 A BRANCH 7 16 ATOM 16 C LIG 1 -5.102 -1.274 1.976 0.00 0.00 +0.219 C BRANCH 16 18 ATOM 17 O LIG 1 -2.763 -0.913 2.301 0.00 0.00 -0.274 OA ATOM 18 C LIG 1 -3.819 -0.478 1.831 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -3.879 0.770 1.248 0.00 0.00 -0.300 N ATOM 20 C LIG 1 -5.047 1.453 0.713 0.00 0.00 +0.108 C ATOM 21 C LIG 1 -4.570 2.880 0.484 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -3.102 2.688 0.125 0.00 0.00 +0.020 C ATOM 23 C LIG 1 -2.672 1.554 1.044 0.00 0.00 +0.108 C ENDBRANCH 16 18 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 3 24 ATOM 24 N LIG 1 1.181 -1.664 -0.646 0.00 0.00 -0.327 N ATOM 25 H LIG 1 0.983 -2.076 0.267 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 2.592 -1.881 -0.986 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 3.492 -1.472 0.199 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 O LIG 1 3.039 -2.154 1.387 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 3.632 -1.892 2.111 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 3.512 0.055 0.446 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 4.182 0.828 -0.616 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 5.653 0.767 -0.538 0.00 0.00 +0.120 C ATOM 33 C LIG 1 6.274 1.627 0.545 0.00 0.00 -0.030 A ATOM 34 C LIG 1 5.582 2.731 1.075 0.00 0.00 -0.042 A ATOM 35 C LIG 1 6.192 3.530 2.052 0.00 0.00 +0.004 A ATOM 36 C LIG 1 7.487 3.249 2.483 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.182 2.168 1.946 0.00 0.00 +0.000 A ATOM 38 C LIG 1 4.165 3.019 0.643 0.00 0.00 +0.051 C ATOM 39 C LIG 1 7.581 1.363 0.979 0.00 0.00 +0.005 A ATOM 40 C LIG 1 3.761 2.240 -0.618 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 3 24 TORSDOF 9