REMARK Name = BDB034648 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.994 -0.154 -0.251 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -0.075 -1.059 -0.066 0.00 0.00 -0.292 N ATOM 3 O LIG 1 1.288 0.686 0.608 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -1.009 -0.753 1.043 0.00 0.00 +0.091 C ATOM 5 C LIG 1 -2.161 0.132 0.535 0.00 0.00 +0.038 C ATOM 6 C LIG 1 -3.127 0.477 1.676 0.00 0.00 +0.092 C ATOM 7 C LIG 1 -3.593 -0.794 2.403 0.00 0.00 +0.094 C ATOM 8 N LIG 1 -2.477 -1.608 2.904 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 -1.957 -1.074 3.603 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -1.564 -1.977 1.810 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 -4.292 1.261 1.186 0.00 0.00 +0.222 A ATOM 12 O LIG 1 -5.079 0.703 0.215 0.00 0.00 -0.424 OA ATOM 13 C LIG 1 -6.024 1.678 0.025 0.00 0.00 +0.220 A ATOM 14 N LIG 1 -5.832 2.721 0.808 0.00 0.00 -0.112 NA ATOM 15 N LIG 1 -4.709 2.450 1.561 0.00 0.00 -0.112 NA BRANCH 13 16 ATOM 16 C LIG 1 -7.185 1.548 -1.002 0.00 0.00 +0.077 C ATOM 17 C LIG 1 -8.516 2.190 -0.706 0.00 0.00 +0.013 C ATOM 18 C LIG 1 -7.630 2.763 -1.776 0.00 0.00 +0.013 C ENDBRANCH 13 16 ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 20 ATOM 19 C LIG 1 3.244 -0.024 -1.357 0.00 0.00 +0.058 A ATOM 20 C LIG 1 1.847 -0.174 -1.484 0.00 0.00 +0.146 A ATOM 21 N LIG 1 1.188 -0.237 -2.676 0.00 0.00 -0.248 NA ATOM 22 C LIG 1 1.946 -0.213 -3.790 0.00 0.00 +0.112 A ATOM 23 C LIG 1 3.326 -0.128 -3.777 0.00 0.00 +0.022 A ATOM 24 C LIG 1 3.978 -0.042 -2.547 0.00 0.00 +0.027 A BRANCH 19 25 ATOM 25 N LIG 1 3.890 0.028 -0.092 0.00 0.00 -0.339 N ATOM 26 H LIG 1 3.224 0.375 0.613 0.00 0.00 +0.146 HD BRANCH 25 29 ATOM 27 C LIG 1 5.257 2.013 1.623 0.00 0.00 +0.121 C ATOM 28 C LIG 1 5.581 0.501 1.651 0.00 0.00 +0.054 C ATOM 29 C LIG 1 5.247 0.436 0.147 0.00 0.00 +0.075 C ATOM 30 C LIG 1 5.442 1.963 0.089 0.00 0.00 +0.054 C BRANCH 27 32 ATOM 31 C LIG 1 5.893 4.246 2.319 0.00 0.00 +0.194 C ATOM 32 O LIG 1 6.176 2.854 2.353 0.00 0.00 -0.380 OA ENDBRANCH 27 32 ENDBRANCH 25 29 ENDBRANCH 19 25 ENDBRANCH 1 20 BRANCH 2 33 ATOM 33 C LIG 1 -0.388 -2.178 -0.973 0.00 0.00 +0.111 C BRANCH 33 34 ATOM 34 C LIG 1 0.262 -3.519 -0.569 0.00 0.00 +0.000 C ATOM 35 C LIG 1 1.788 -3.493 -0.660 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.287 -4.641 -1.455 0.00 0.00 +0.009 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 9