REMARK Name = BDB031855 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.354 -1.825 1.555 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.061 -0.476 1.829 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.224 0.003 1.550 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.237 -0.790 1.031 0.00 0.00 +0.041 A ATOM 5 C LIG 1 2.363 0.084 0.895 0.00 0.00 +0.153 A ATOM 6 N LIG 1 2.069 1.313 1.329 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.960 -2.147 0.778 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.782 1.242 1.691 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.338 2.083 2.040 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -0.326 -2.640 1.049 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -3.485 0.562 -1.849 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -3.158 -0.511 -1.007 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.001 -0.836 0.045 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -3.965 -1.894 1.111 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -2.730 -2.382 1.840 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.247 -1.680 1.883 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -5.890 -0.596 1.310 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.777 -0.252 1.642 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -5.621 -2.348 2.831 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -3.435 -3.272 0.836 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.174 -0.088 0.224 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -5.530 0.970 -0.584 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -4.666 1.297 -1.634 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -2.822 1.893 -3.710 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -2.575 0.791 -2.846 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 3.562 -0.353 0.435 0.00 0.00 -0.282 N ATOM 27 H LIG 1 3.606 -1.308 0.110 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 4.579 0.414 -0.181 0.00 0.00 +0.134 A ATOM 29 C LIG 1 5.880 -0.082 -0.201 0.00 0.00 +0.008 A ATOM 30 C LIG 1 6.272 -1.387 0.413 0.00 0.00 +0.049 C ATOM 31 C LIG 1 6.818 0.715 -0.830 0.00 0.00 +0.123 A ATOM 32 N LIG 1 6.543 1.903 -1.388 0.00 0.00 -0.203 NA ATOM 33 C LIG 1 5.271 2.300 -1.296 0.00 0.00 +0.319 A ATOM 34 N LIG 1 4.277 1.602 -0.732 0.00 0.00 -0.180 NA BRANCH 33 35 ATOM 35 O LIG 1 5.006 3.527 -1.868 0.00 0.00 -0.466 OA ATOM 36 C LIG 1 3.689 3.984 -1.588 0.00 0.00 +0.280 C ENDBRANCH 33 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5