REMARK Name = BDB025679 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.550 -0.254 -1.223 0.00 0.00 +0.154 A ATOM 2 N LIG 1 2.526 -0.358 -2.199 0.00 0.00 -0.252 N ATOM 3 N LIG 1 2.198 0.264 -3.359 0.00 0.00 -0.178 NA ATOM 4 C LIG 1 1.019 0.824 -3.106 0.00 0.00 +0.143 A ATOM 5 C LIG 1 0.569 0.545 -1.805 0.00 0.00 +0.034 A ENDROOT BRANCH 5 6 ATOM 6 C LIG 1 -0.662 0.966 -1.175 0.00 0.00 -0.009 A ATOM 7 C LIG 1 -1.781 0.136 -1.117 0.00 0.00 -0.017 A ATOM 8 C LIG 1 -1.906 -1.246 -1.680 0.00 0.00 +0.057 C ATOM 9 C LIG 1 -3.270 -1.674 -1.153 0.00 0.00 +0.118 C ATOM 10 N LIG 1 -3.934 -0.481 -0.605 0.00 0.00 -0.269 N ATOM 11 C LIG 1 -5.262 -0.589 -0.233 0.00 0.00 +0.241 C ATOM 12 O LIG 1 -5.835 -1.686 -0.311 0.00 0.00 -0.273 OA ATOM 13 C LIG 1 -2.983 0.558 -0.529 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -3.066 1.827 0.022 0.00 0.00 +0.024 A ATOM 15 C LIG 1 -1.948 2.670 -0.029 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -0.755 2.247 -0.625 0.00 0.00 +0.009 A BRANCH 11 17 ATOM 17 C LIG 1 -6.025 0.632 0.288 0.00 0.00 +0.170 C ATOM 18 N LIG 1 -7.514 0.502 0.141 0.00 0.00 -0.258 N ATOM 19 C LIG 1 -8.102 0.130 1.454 0.00 0.00 +0.117 C ATOM 20 C LIG 1 -6.919 -0.089 2.383 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -5.830 0.792 1.796 0.00 0.00 +0.034 C BRANCH 18 22 ATOM 22 C LIG 1 -8.141 0.366 -1.033 0.00 0.00 +0.170 C ATOM 23 N LIG 1 -8.684 0.281 -2.052 0.00 0.00 -0.174 NA ENDBRANCH 18 22 ENDBRANCH 11 17 ENDBRANCH 5 6 BRANCH 1 24 ATOM 24 C LIG 1 1.549 -0.822 0.108 0.00 0.00 +0.358 C ATOM 25 O LIG 1 0.777 -0.514 1.008 0.00 0.00 -0.243 OA BRANCH 24 26 ATOM 26 O LIG 1 2.487 -1.802 0.229 0.00 0.00 -0.460 OA BRANCH 26 28 ATOM 27 C LIG 1 3.285 -1.747 2.530 0.00 0.00 +0.048 C ATOM 28 C LIG 1 2.493 -2.505 1.482 0.00 0.00 +0.229 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 BRANCH 2 29 ATOM 29 C LIG 1 3.836 -1.008 -2.145 0.00 0.00 +0.179 C BRANCH 29 30 ATOM 30 C LIG 1 4.839 -0.258 -1.299 0.00 0.00 -0.026 A ATOM 31 C LIG 1 5.667 -0.958 -0.409 0.00 0.00 +0.009 A ATOM 32 C LIG 1 6.625 -0.288 0.360 0.00 0.00 +0.046 A ATOM 33 C LIG 1 6.781 1.092 0.242 0.00 0.00 +0.120 A ATOM 34 C LIG 1 5.976 1.791 -0.659 0.00 0.00 +0.046 A ATOM 35 C LIG 1 5.020 1.125 -1.429 0.00 0.00 +0.009 A BRANCH 33 36 ATOM 36 O LIG 1 7.673 1.865 0.932 0.00 0.00 -0.495 OA ATOM 37 C LIG 1 8.519 1.198 1.860 0.00 0.00 +0.277 C ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 9