REMARK Name = BDB034210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.453 0.440 0.223 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.355 1.127 0.721 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.312 2.250 1.186 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.196 0.240 0.570 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -3.615 -0.910 -0.090 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -2.710 -1.919 -0.369 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -1.375 -1.761 0.033 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -0.970 -0.586 0.693 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -1.889 0.434 0.969 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -5.066 -0.811 -0.416 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -9.530 4.053 -0.603 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -8.669 3.206 -0.380 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -7.670 2.958 -1.287 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -7.675 3.531 -2.119 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -6.734 1.949 -1.259 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -6.011 1.748 -2.233 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -6.759 1.042 -0.019 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -7.322 1.795 1.187 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -8.706 2.326 0.848 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 -0.567 -2.815 -0.297 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 0.784 -2.829 0.195 0.00 0.00 +0.190 C ATOM 22 C LIG 1 1.732 -2.035 -0.761 0.00 0.00 +0.097 C ATOM 23 C LIG 1 2.607 -3.099 -1.457 0.00 0.00 +0.023 C ATOM 24 C LIG 1 1.827 -4.394 -1.308 0.00 0.00 +0.005 C ATOM 25 C LIG 1 1.265 -4.283 0.101 0.00 0.00 +0.046 C BRANCH 22 26 ATOM 26 N LIG 1 2.489 -0.926 -0.151 0.00 0.00 -0.296 NA ATOM 27 C LIG 1 3.191 -0.084 -1.126 0.00 0.00 +0.085 C ATOM 28 C LIG 1 4.713 -0.222 -1.095 0.00 0.00 +0.023 C ATOM 29 C LIG 1 5.304 0.013 0.308 0.00 0.00 +0.021 C ATOM 30 C LIG 1 4.249 -0.152 1.414 0.00 0.00 +0.023 C ATOM 31 C LIG 1 3.260 -1.258 1.049 0.00 0.00 +0.085 C BRANCH 29 32 ATOM 32 C LIG 1 6.042 1.335 0.428 0.00 0.00 -0.044 A ATOM 33 C LIG 1 5.391 2.564 0.245 0.00 0.00 +0.004 A ATOM 34 C LIG 1 6.091 3.768 0.359 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.451 3.759 0.656 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.112 2.548 0.842 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.413 1.344 0.729 0.00 0.00 +0.004 A ENDBRANCH 29 32 ENDBRANCH 22 26 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5