REMARK Name = BDB058317 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.250 2.176 -0.378 0.00 0.00 +0.113 A ATOM 2 N LIG 1 0.481 0.817 -0.410 0.00 0.00 -0.292 N ATOM 3 C LIG 1 1.190 0.215 0.611 0.00 0.00 +0.258 A ATOM 4 O LIG 1 1.451 -0.987 0.646 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 1.637 1.087 1.725 0.00 0.00 +0.049 A ATOM 6 C LIG 1 1.359 2.396 1.626 0.00 0.00 +0.049 A ATOM 7 C LIG 1 1.787 3.416 2.650 0.00 0.00 +0.066 C ATOM 8 N LIG 1 0.676 2.942 0.574 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 -0.499 2.820 -1.545 0.00 0.00 +0.074 C BRANCH 9 10 ATOM 10 C LIG 1 -0.976 4.256 -1.308 0.00 0.00 +0.007 C BRANCH 10 12 ATOM 11 C LIG 1 -2.674 5.743 -0.182 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -2.165 4.319 -0.347 0.00 0.00 -0.003 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 2 13 ATOM 13 C LIG 1 0.055 -0.046 -1.515 0.00 0.00 +0.161 C BRANCH 13 14 ATOM 14 C LIG 1 -1.371 -0.550 -1.389 0.00 0.00 -0.028 A ATOM 15 C LIG 1 -1.821 -1.186 -0.222 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -3.122 -1.688 -0.135 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -4.009 -1.575 -1.216 0.00 0.00 -0.017 A ATOM 18 C LIG 1 -3.552 -0.958 -2.391 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -2.251 -0.455 -2.477 0.00 0.00 +0.006 A BRANCH 17 20 ATOM 20 C LIG 1 -5.376 -2.106 -1.127 0.00 0.00 -0.007 A ATOM 21 C LIG 1 -6.397 -1.552 -0.321 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -7.655 -2.182 -0.261 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -7.919 -3.336 -0.999 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -6.926 -3.882 -1.804 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -5.671 -3.275 -1.864 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 -6.257 -0.323 0.494 0.00 0.00 +0.183 A ATOM 27 N LIG 1 -5.386 0.649 0.193 0.00 0.00 -0.271 N ATOM 28 H LIG 1 -4.715 0.711 -0.552 0.00 0.00 +0.174 HD ATOM 29 C LIG 1 -5.536 1.612 1.116 0.00 0.00 +0.440 A ATOM 30 O LIG 1 -4.906 2.656 1.170 0.00 0.00 -0.221 OA ATOM 31 O LIG 1 -6.520 1.225 1.989 0.00 0.00 -0.295 OA ATOM 32 N LIG 1 -6.973 -0.054 1.540 0.00 0.00 -0.054 NA ENDBRANCH 21 26 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 2 13 BRANCH 5 33 ATOM 33 C LIG 1 2.339 0.386 2.852 0.00 0.00 +0.163 C BRANCH 33 34 ATOM 34 C LIG 1 3.771 0.090 2.458 0.00 0.00 +0.312 C ATOM 35 O LIG 1 4.551 0.923 2.011 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 4.072 -1.212 2.716 0.00 0.00 -0.464 OA BRANCH 36 37 ATOM 37 C LIG 1 5.403 -1.657 2.402 0.00 0.00 +0.235 C BRANCH 37 38 ATOM 38 C LIG 1 5.397 -2.496 1.115 0.00 0.00 +0.027 C ATOM 39 C LIG 1 6.736 -3.239 0.924 0.00 0.00 +0.007 C ATOM 40 C LIG 1 7.684 -2.493 -0.007 0.00 0.00 +0.000 C ATOM 41 C LIG 1 7.087 -2.314 -1.406 0.00 0.00 +0.000 C ATOM 42 C LIG 1 5.558 -2.245 -1.409 0.00 0.00 +0.000 C ATOM 43 C LIG 1 5.028 -1.638 -0.113 0.00 0.00 +0.007 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 12