REMARK Name = BDB031725 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.206 -0.297 -2.049 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.818 1.040 -1.838 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.474 1.313 -1.557 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.495 0.333 -1.486 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.284 1.031 -1.178 0.00 0.00 +0.154 A ATOM 6 N LIG 1 0.504 2.346 -1.089 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.871 -1.004 -1.716 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.817 2.483 -1.304 0.00 0.00 -0.275 N ATOM 9 H LIG 1 2.209 3.416 -1.269 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.216 -1.294 -1.998 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.786 0.590 2.258 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.633 -0.056 1.022 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.601 0.106 0.042 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.759 -0.426 -1.354 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.646 -0.632 -2.362 0.00 0.00 +0.040 C ATOM 16 C LIG 1 8.085 0.135 -1.812 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.579 0.908 -0.775 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.462 1.392 -0.829 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.601 -0.067 -2.898 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.332 -1.820 -1.716 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.721 0.900 0.326 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.908 1.546 1.530 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.919 1.386 2.506 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.822 1.040 4.388 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.765 0.360 3.141 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -0.894 0.380 -1.043 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -0.900 -0.633 -1.093 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.138 0.834 -0.538 0.00 0.00 +0.171 A ATOM 29 C LIG 1 -3.240 -0.013 -0.684 0.00 0.00 +0.200 A ATOM 30 C LIG 1 -4.472 0.428 -0.188 0.00 0.00 +0.169 A ATOM 31 N LIG 1 -4.599 1.651 0.358 0.00 0.00 -0.217 NA ATOM 32 C LIG 1 -3.489 2.401 0.423 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -2.268 2.050 0.015 0.00 0.00 -0.217 NA BRANCH 30 34 ATOM 34 N LIG 1 -5.602 -0.429 -0.204 0.00 0.00 -0.307 N ATOM 35 C LIG 1 -5.450 -1.453 0.862 0.00 0.00 +0.138 C ATOM 36 C LIG 1 -6.798 -2.116 1.228 0.00 0.00 +0.133 C ATOM 37 C LIG 1 -7.304 -3.051 0.132 0.00 0.00 +0.039 C ATOM 38 O LIG 1 -7.848 -1.190 1.564 0.00 0.00 -0.371 OA ATOM 39 C LIG 1 -7.550 0.179 1.232 0.00 0.00 +0.133 C ATOM 40 C LIG 1 -8.859 0.954 1.288 0.00 0.00 +0.039 C ATOM 41 C LIG 1 -6.900 0.286 -0.159 0.00 0.00 +0.138 C ENDBRANCH 30 34 BRANCH 29 42 ATOM 42 O LIG 1 -3.029 -1.245 -1.263 0.00 0.00 -0.489 OA ATOM 43 C LIG 1 -3.829 -1.418 -2.435 0.00 0.00 +0.277 C ENDBRANCH 29 42 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6