REMARK Name = BDB062434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.170 -2.247 1.560 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 1.056 -3.075 1.538 0.00 0.00 +0.103 C ATOM 3 C LIG 1 2.213 -2.535 0.661 0.00 0.00 +0.120 C ATOM 4 N LIG 1 2.526 -1.120 0.982 0.00 0.00 -0.326 N ATOM 5 C LIG 1 1.337 -0.244 1.049 0.00 0.00 +0.120 C ATOM 6 C LIG 1 0.223 -0.866 1.922 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.692 -0.617 0.384 0.00 0.00 +0.048 A ATOM 8 C LIG 1 4.910 -1.312 0.432 0.00 0.00 +0.134 A ATOM 9 N LIG 1 6.086 -0.909 -0.113 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 6.079 0.286 -0.741 0.00 0.00 +0.125 A ATOM 11 C LIG 1 4.947 1.083 -0.836 0.00 0.00 +0.035 A ATOM 12 C LIG 1 3.756 0.624 -0.263 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 7.375 0.734 -1.344 0.00 0.00 +0.262 C ATOM 14 N LIG 1 7.686 2.076 -1.167 0.00 0.00 -0.313 N ATOM 15 H LIG 1 7.194 2.583 -0.443 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 8.974 2.576 -1.579 0.00 0.00 +0.128 C ATOM 17 O LIG 1 8.106 -0.050 -1.940 0.00 0.00 -0.269 OA ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 -0.885 -2.325 0.276 0.00 0.00 +0.119 C BRANCH 18 28 ATOM 19 C LIG 1 -6.399 1.153 -0.519 0.00 0.00 +0.017 A ATOM 20 C LIG 1 -5.389 1.549 -1.552 0.00 0.00 +0.252 A ATOM 21 O LIG 1 -5.628 2.406 -2.397 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 -4.177 0.914 -1.516 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -3.515 1.198 -2.223 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 -3.845 -0.078 -0.587 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -4.792 -0.460 0.370 0.00 0.00 -0.001 A ATOM 26 C LIG 1 -4.466 -1.451 1.297 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -3.204 -2.050 1.264 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -2.248 -1.664 0.309 0.00 0.00 -0.031 A ATOM 29 C LIG 1 -2.583 -0.672 -0.625 0.00 0.00 +0.031 A ATOM 30 C LIG 1 -6.101 0.192 0.373 0.00 0.00 +0.019 A BRANCH 19 32 ATOM 31 C LIG 1 -7.687 3.236 0.043 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -7.735 1.841 -0.565 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 5