REMARK Name = BDB008736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.719 -0.208 -0.610 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -1.409 -0.405 -0.405 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -0.554 0.561 -0.790 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.947 1.759 -1.356 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -2.312 1.988 -1.535 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -3.204 0.969 -1.172 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.805 3.225 -2.122 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -2.660 4.497 -1.577 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -3.143 5.590 -2.283 0.00 0.00 +0.112 A ATOM 10 C LIG 1 -2.825 6.710 -1.495 0.00 0.00 +0.162 A ATOM 11 N LIG 1 -2.205 6.373 -0.361 0.00 0.00 -0.177 NA ATOM 12 N LIG 1 -3.770 5.497 -3.474 0.00 0.00 -0.232 NA ATOM 13 C LIG 1 -3.895 4.238 -3.906 0.00 0.00 +0.222 A ATOM 14 N LIG 1 -2.146 5.023 -0.419 0.00 0.00 -0.263 N ATOM 15 C LIG 1 -1.605 4.319 0.721 0.00 0.00 +0.173 C ATOM 16 N LIG 1 -3.463 3.116 -3.302 0.00 0.00 -0.233 NA ENDBRANCH 5 7 BRANCH 1 18 ATOM 17 C LIG 1 -3.364 -2.408 0.326 0.00 0.00 +0.235 C ATOM 18 N LIG 1 -3.657 -1.189 -0.265 0.00 0.00 -0.269 N ATOM 19 H LIG 1 -4.624 -0.988 -0.474 0.00 0.00 +0.156 HD ATOM 20 O LIG 1 -2.255 -2.817 0.662 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 -4.630 -3.278 0.525 0.00 0.00 +0.137 C ATOM 22 C LIG 1 -4.977 -3.960 -0.796 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 -4.426 -3.757 2.900 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -4.409 -4.317 1.553 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 -3.472 -4.704 1.387 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 3 26 ATOM 26 C LIG 1 0.823 0.266 -0.561 0.00 0.00 -0.041 C ATOM 27 C LIG 1 1.975 -0.004 -0.358 0.00 0.00 -0.060 C BRANCH 27 28 ATOM 28 C LIG 1 3.336 -0.359 -0.099 0.00 0.00 +0.026 A ATOM 29 C LIG 1 3.630 -1.569 0.530 0.00 0.00 +0.026 A ATOM 30 C LIG 1 4.961 -1.925 0.788 0.00 0.00 -0.000 A ATOM 31 C LIG 1 5.256 -3.192 1.447 0.00 0.00 +0.015 A ATOM 32 C LIG 1 6.523 -3.534 1.696 0.00 0.00 +0.071 A ATOM 33 C LIG 1 7.661 -2.661 1.321 0.00 0.00 +0.252 A ATOM 34 N LIG 1 7.359 -1.458 0.694 0.00 0.00 -0.311 N ATOM 35 C LIG 1 8.460 -0.587 0.316 0.00 0.00 +0.152 C ATOM 36 O LIG 1 8.799 -3.047 1.586 0.00 0.00 -0.268 OA ATOM 37 C LIG 1 6.012 -1.068 0.416 0.00 0.00 +0.052 A ATOM 38 C LIG 1 5.700 0.145 -0.217 0.00 0.00 +0.027 A ATOM 39 C LIG 1 4.370 0.496 -0.473 0.00 0.00 +0.019 A ENDBRANCH 27 28 ENDBRANCH 3 26 TORSDOF 6