REMARK Name = BDB062701 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.730 0.271 -1.326 0.00 0.00 -0.293 N ATOM 2 C LIG 1 0.728 -0.696 -1.284 0.00 0.00 +0.247 C ATOM 3 O LIG 1 0.868 -1.828 -1.736 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.575 -0.297 -0.665 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.523 -1.292 -0.397 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.764 -0.962 0.160 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -3.050 0.386 0.422 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -2.116 1.405 0.153 0.00 0.00 -0.009 A ATOM 9 C LIG 1 -0.856 1.054 -0.378 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.188 2.090 -0.714 0.00 0.00 +0.055 C ATOM 11 C LIG 1 1.585 1.502 -0.565 0.00 0.00 +0.113 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -2.498 2.799 0.420 0.00 0.00 +0.044 A ATOM 13 C LIG 1 -2.276 3.428 1.651 0.00 0.00 +0.222 A ATOM 14 N LIG 1 -2.619 4.712 1.919 0.00 0.00 -0.221 NA ATOM 15 C LIG 1 -3.215 5.405 0.926 0.00 0.00 +0.114 A ATOM 16 C LIG 1 -3.485 4.881 -0.326 0.00 0.00 +0.021 A ATOM 17 C LIG 1 -3.121 3.562 -0.578 0.00 0.00 +0.015 A BRANCH 13 18 ATOM 18 O LIG 1 -1.654 2.685 2.639 0.00 0.00 -0.479 OA ATOM 19 C LIG 1 -1.489 3.392 3.862 0.00 0.00 +0.279 C ENDBRANCH 13 18 ENDBRANCH 8 12 BRANCH 1 20 ATOM 20 C LIG 1 3.065 -0.115 -1.771 0.00 0.00 +0.143 C BRANCH 20 25 ATOM 21 C LIG 1 4.721 -1.844 1.202 0.00 0.00 +0.124 A ATOM 22 C LIG 1 5.719 -0.925 1.528 0.00 0.00 +0.091 A ATOM 23 C LIG 1 5.872 0.254 0.790 0.00 0.00 +0.124 A ATOM 24 C LIG 1 5.017 0.515 -0.282 0.00 0.00 +0.051 A ATOM 25 C LIG 1 4.008 -0.399 -0.624 0.00 0.00 -0.023 A ATOM 26 C LIG 1 3.872 -1.575 0.128 0.00 0.00 +0.051 A BRANCH 21 28 ATOM 27 C LIG 1 5.311 -3.344 2.950 0.00 0.00 +0.277 C ATOM 28 O LIG 1 4.475 -3.026 1.846 0.00 0.00 -0.495 OA ENDBRANCH 21 28 BRANCH 23 29 ATOM 29 O LIG 1 6.889 1.064 1.220 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 7.122 2.257 0.482 0.00 0.00 +0.277 C ENDBRANCH 23 29 ENDBRANCH 20 25 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 C LIG 1 -3.788 -2.040 0.446 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -4.416 -2.504 -0.772 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -4.070 -3.700 -1.406 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -3.228 -4.574 -0.988 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -3.174 -5.337 -1.662 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -4.841 -3.706 -2.575 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -4.725 -4.680 -3.631 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -5.585 -2.534 -2.645 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -5.333 -1.808 -1.548 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 8