REMARK Name = BDB010308 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.780 -0.794 1.066 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.411 -0.577 0.950 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.431 -0.912 1.997 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.737 -0.715 1.677 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.734 -0.286 0.434 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.016 -1.401 3.177 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.317 -1.530 3.224 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.439 -0.017 0.018 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.211 -1.267 2.252 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 1.852 -2.050 4.502 0.00 0.00 +0.220 A ATOM 11 N LIG 1 1.001 -2.326 5.505 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -0.001 -2.220 5.498 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 1.738 -2.777 6.527 0.00 0.00 +0.440 A ATOM 14 O LIG 1 1.315 -3.132 7.616 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 3.057 -2.777 6.146 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 3.089 -2.290 4.798 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 -2.828 -0.035 -0.335 0.00 0.00 -0.294 N ATOM 18 C LIG 1 -3.055 -0.827 -1.564 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -3.726 0.134 -2.575 0.00 0.00 +0.027 C ATOM 20 C LIG 1 -4.698 1.138 -1.934 0.00 0.00 +0.004 C ATOM 21 C LIG 1 -5.188 0.718 -0.553 0.00 0.00 +0.019 C ATOM 22 C LIG 1 -4.050 0.334 0.398 0.00 0.00 +0.108 C BRANCH 18 23 ATOM 23 C LIG 1 -3.759 -2.165 -1.305 0.00 0.00 -0.027 A ATOM 24 C LIG 1 -5.023 -2.491 -1.825 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -5.609 -3.737 -1.579 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.943 -4.687 -0.813 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -3.687 -4.393 -0.294 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -3.102 -3.149 -0.541 0.00 0.00 +0.005 A ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 29 ATOM 29 N LIG 1 2.673 -0.568 0.020 0.00 0.00 -0.324 N ATOM 30 H LIG 1 2.306 -0.974 -0.835 0.00 0.00 +0.148 HD BRANCH 29 32 ATOM 31 C LIG 1 4.771 0.226 1.015 0.00 0.00 +0.028 C ATOM 32 C LIG 1 4.084 -0.910 0.252 0.00 0.00 +0.072 C BRANCH 32 33 ATOM 33 C LIG 1 4.786 -1.085 -1.101 0.00 0.00 +0.009 C ATOM 34 C LIG 1 6.221 -1.686 -1.081 0.00 0.00 +0.005 C ATOM 35 C LIG 1 5.854 -2.420 -2.387 0.00 0.00 +0.001 C ATOM 36 C LIG 1 4.383 -2.334 -1.936 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 1 29 BRANCH 8 37 ATOM 37 C LIG 1 -0.056 0.793 -1.123 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 0.171 2.304 -0.876 0.00 0.00 +0.009 C ATOM 39 C LIG 1 1.296 2.621 0.111 0.00 0.00 +0.005 C ATOM 40 C LIG 1 1.639 4.116 0.123 0.00 0.00 +0.003 C ATOM 41 C LIG 1 0.422 5.050 0.003 0.00 0.00 -0.014 C ATOM 42 C LIG 1 0.359 5.719 -1.374 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -0.882 4.322 0.331 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -1.118 3.065 -0.511 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 8