REMARK Name = BDB004779 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.764 -0.540 1.705 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.316 -0.872 0.883 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.508 -1.382 1.428 0.00 0.00 -0.029 A ATOM 4 C LIG 1 1.612 -1.543 2.816 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.537 -1.223 3.641 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.645 -0.729 3.088 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.296 0.330 -0.072 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -1.990 -0.031 1.227 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -2.688 0.155 1.935 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -1.536 0.349 -1.032 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 C LIG 1 -6.053 0.655 0.157 0.00 0.00 +0.122 A ATOM 12 N LIG 1 -6.292 1.655 -0.721 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 -5.244 2.197 -1.381 0.00 0.00 +0.113 A ATOM 14 C LIG 1 -3.938 1.794 -1.204 0.00 0.00 +0.033 A ATOM 15 C LIG 1 -3.697 0.779 -0.285 0.00 0.00 +0.042 A ATOM 16 C LIG 1 -4.765 0.187 0.390 0.00 0.00 +0.056 A BRANCH 11 18 ATOM 17 C LIG 1 -8.294 0.927 0.980 0.00 0.00 +0.130 C ATOM 18 N LIG 1 -7.132 0.051 0.811 0.00 0.00 -0.316 N BRANCH 18 19 ATOM 19 C LIG 1 -7.433 -1.327 0.360 0.00 0.00 +0.134 C BRANCH 19 20 ATOM 20 C LIG 1 -7.457 -1.529 -1.167 0.00 0.00 +0.174 C BRANCH 20 21 ATOM 21 O LIG 1 -8.308 -0.596 -1.823 0.00 0.00 -0.393 OA ATOM 22 H LIG 1 -7.886 0.278 -1.686 0.00 0.00 +0.209 HD ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 11 18 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 2.680 -1.709 0.531 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 3.598 -0.576 0.541 0.00 0.00 -0.324 N ATOM 25 H LIG 1 3.107 0.277 0.283 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 4.736 -0.719 -0.280 0.00 0.00 +0.130 A ATOM 27 C LIG 1 5.672 0.334 -0.356 0.00 0.00 +0.041 A ATOM 28 C LIG 1 6.780 0.135 -1.203 0.00 0.00 +0.088 A ATOM 29 C LIG 1 7.719 1.183 -1.304 0.00 0.00 +0.063 A ATOM 30 C LIG 1 7.565 2.380 -0.577 0.00 0.00 +0.015 A ATOM 31 C LIG 1 6.480 2.558 0.266 0.00 0.00 +0.002 A ATOM 32 N LIG 1 6.919 -1.027 -1.881 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 5.986 -1.970 -1.710 0.00 0.00 +0.223 A ATOM 34 C LIG 1 5.542 1.541 0.377 0.00 0.00 +0.013 A ATOM 35 N LIG 1 4.904 -1.874 -0.941 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 8.938 1.112 -2.172 0.00 0.00 +0.244 C ATOM 37 O LIG 1 9.745 2.034 -2.222 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 9.140 -0.009 -2.920 0.00 0.00 -0.325 N ATOM 39 H LIG 1 9.969 -0.074 -3.493 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 8.494 -0.792 -2.870 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 10