REMARK Name = BDB015925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.265 -0.028 1.471 0.00 0.00 +0.130 A ATOM 2 C LIG 1 -0.537 -1.020 0.812 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -1.256 -2.136 0.425 0.00 0.00 +0.125 A ATOM 4 N LIG 1 -2.577 -2.295 0.629 0.00 0.00 -0.235 NA ATOM 5 C LIG 1 -3.206 -1.276 1.241 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -2.593 -0.154 1.667 0.00 0.00 -0.212 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.662 -1.392 1.465 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -5.370 -2.560 1.114 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -6.755 -2.686 1.319 0.00 0.00 -0.014 A ATOM 10 C LIG 1 -7.449 -1.616 1.895 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -6.776 -0.448 2.252 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -5.401 -0.341 2.038 0.00 0.00 +0.011 A BRANCH 9 13 ATOM 13 C LIG 1 -7.465 -3.901 0.952 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -7.096 -4.768 -0.057 0.00 0.00 +0.116 A ATOM 15 N LIG 1 -8.034 -5.760 -0.075 0.00 0.00 -0.274 N ATOM 16 C LIG 1 -8.078 -6.897 -0.961 0.00 0.00 +0.172 C ATOM 17 N LIG 1 -8.998 -5.603 0.849 0.00 0.00 -0.179 NA ATOM 18 C LIG 1 -8.650 -4.473 1.471 0.00 0.00 +0.142 A ENDBRANCH 9 13 ENDBRANCH 5 7 BRANCH 2 19 ATOM 19 C LIG 1 0.882 -0.950 0.538 0.00 0.00 +0.024 A ATOM 20 C LIG 1 1.502 0.066 -0.157 0.00 0.00 +0.117 A ATOM 21 N LIG 1 2.826 -0.265 -0.222 0.00 0.00 -0.268 N ATOM 22 N LIG 1 3.108 -1.439 0.378 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 1.923 -1.859 0.828 0.00 0.00 +0.143 A BRANCH 21 24 ATOM 24 C LIG 1 3.885 0.513 -0.862 0.00 0.00 +0.107 C ATOM 25 C LIG 1 4.405 -0.201 -2.122 0.00 0.00 +0.029 C ATOM 26 C LIG 1 5.776 0.330 -2.536 0.00 0.00 +0.028 C ATOM 27 C LIG 1 6.855 0.103 -1.437 0.00 0.00 +0.038 C ATOM 28 N LIG 1 7.726 -1.027 -1.775 0.00 0.00 -0.299 N ATOM 29 C LIG 1 7.288 -2.410 -1.765 0.00 0.00 +0.132 C ATOM 30 C LIG 1 8.808 -0.630 -2.563 0.00 0.00 +0.216 C ATOM 31 O LIG 1 9.582 -1.355 -3.165 0.00 0.00 -0.276 OA ATOM 32 C LIG 1 8.830 0.877 -2.602 0.00 0.00 +0.098 C ATOM 33 C LIG 1 7.879 1.257 -1.474 0.00 0.00 +0.035 C ATOM 34 C LIG 1 6.228 -0.017 -0.029 0.00 0.00 +0.028 C ATOM 35 C LIG 1 5.008 0.891 0.126 0.00 0.00 +0.029 C ENDBRANCH 21 24 ENDBRANCH 2 19 BRANCH 1 36 ATOM 36 N LIG 1 -0.625 1.152 1.901 0.00 0.00 -0.328 N ATOM 37 H LIG 1 0.252 0.902 2.353 0.00 0.00 +0.147 HD BRANCH 36 38 ATOM 38 C LIG 1 -1.403 2.095 2.702 0.00 0.00 +0.106 C BRANCH 38 43 ATOM 39 C LIG 1 -1.378 5.937 -1.248 0.00 0.00 +0.104 C ATOM 40 N LIG 1 -1.521 4.541 -0.847 0.00 0.00 -0.305 NA ATOM 41 C LIG 1 -0.358 4.051 -0.098 0.00 0.00 +0.084 C ATOM 42 C LIG 1 -0.518 4.136 1.418 0.00 0.00 +0.020 C ATOM 43 C LIG 1 -1.759 3.369 1.916 0.00 0.00 +0.008 C ATOM 44 C LIG 1 -2.763 3.117 0.779 0.00 0.00 +0.020 C ATOM 45 C LIG 1 -2.804 4.320 -0.162 0.00 0.00 +0.084 C ENDBRANCH 38 43 ENDBRANCH 36 38 ENDBRANCH 1 36 TORSDOF 7