REMARK Name = BDB064190 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.368 -0.484 0.243 0.00 0.00 -0.288 NA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.688 -0.317 -1.182 0.00 0.00 +0.087 C BRANCH 2 3 ATOM 3 C LIG 1 0.328 0.225 -2.200 0.00 0.00 +0.034 C BRANCH 3 4 ATOM 4 C LIG 1 1.558 -0.625 -2.505 0.00 0.00 +0.106 C BRANCH 4 7 ATOM 5 O LIG 1 2.825 1.720 -1.322 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 3.303 0.597 -1.204 0.00 0.00 +0.280 C ATOM 7 N LIG 1 2.665 -0.567 -1.569 0.00 0.00 -0.309 N ATOM 8 H LIG 1 3.218 -1.416 -1.483 0.00 0.00 +0.149 HD BRANCH 6 9 ATOM 9 C LIG 1 4.646 0.363 -0.582 0.00 0.00 +0.194 A ATOM 10 O LIG 1 5.086 -0.972 -0.450 0.00 0.00 -0.417 OA ATOM 11 C LIG 1 6.296 -1.279 0.103 0.00 0.00 +0.345 A ATOM 12 O LIG 1 6.674 -2.438 0.214 0.00 0.00 -0.245 OA ATOM 13 C LIG 1 7.133 -0.145 0.564 0.00 0.00 +0.067 A ATOM 14 C LIG 1 6.674 1.167 0.421 0.00 0.00 -0.007 A ATOM 15 C LIG 1 7.474 2.228 0.860 0.00 0.00 +0.009 A ATOM 16 C LIG 1 8.722 1.974 1.437 0.00 0.00 +0.001 A ATOM 17 C LIG 1 9.176 0.664 1.578 0.00 0.00 +0.001 A ATOM 18 C LIG 1 8.384 -0.398 1.142 0.00 0.00 +0.015 A ATOM 19 C LIG 1 5.373 1.412 -0.180 0.00 0.00 +0.060 A ENDBRANCH 6 9 ENDBRANCH 4 7 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 0.393 0.601 0.883 0.00 0.00 +0.159 C BRANCH 20 21 ATOM 21 C LIG 1 -0.248 1.970 0.687 0.00 0.00 +0.125 A ATOM 22 N LIG 1 0.521 2.893 0.002 0.00 0.00 -0.309 N ATOM 23 H LIG 1 1.414 2.632 -0.413 0.00 0.00 +0.170 HD ATOM 24 C LIG 1 0.103 4.176 -0.272 0.00 0.00 +0.260 A ATOM 25 O LIG 1 0.794 4.968 -0.904 0.00 0.00 -0.267 OA ATOM 26 C LIG 1 -1.210 4.485 0.255 0.00 0.00 +0.075 A ATOM 27 C LIG 1 -1.873 3.486 0.940 0.00 0.00 +0.116 A ATOM 28 S LIG 1 -3.396 4.009 1.506 0.00 0.00 -0.073 S ATOM 29 C LIG 1 -3.176 5.562 0.844 0.00 0.00 -0.004 A ATOM 30 C LIG 1 -4.221 6.628 0.959 0.00 0.00 +0.043 C ATOM 31 C LIG 1 -3.627 8.001 0.608 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -2.754 7.936 -0.653 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -1.561 6.982 -0.474 0.00 0.00 +0.037 C ATOM 34 C LIG 1 -1.969 5.696 0.182 0.00 0.00 -0.023 A ATOM 35 N LIG 1 -1.426 2.224 1.173 0.00 0.00 -0.225 NA ENDBRANCH 20 21 ENDBRANCH 1 20 BRANCH 1 36 ATOM 36 C LIG 1 0.216 -1.798 0.564 0.00 0.00 +0.159 C BRANCH 36 37 ATOM 37 C LIG 1 -0.846 -2.886 0.459 0.00 0.00 +0.125 A ATOM 38 N LIG 1 -2.103 -2.520 0.896 0.00 0.00 -0.309 N ATOM 39 H LIG 1 -2.260 -1.551 1.149 0.00 0.00 +0.170 HD ATOM 40 C LIG 1 -3.198 -3.348 0.849 0.00 0.00 +0.260 A ATOM 41 O LIG 1 -4.319 -2.975 1.176 0.00 0.00 -0.267 OA ATOM 42 C LIG 1 -2.891 -4.681 0.366 0.00 0.00 +0.075 A ATOM 43 C LIG 1 -1.587 -4.939 -0.010 0.00 0.00 +0.116 A ATOM 44 S LIG 1 -1.389 -6.549 -0.542 0.00 0.00 -0.073 S ATOM 45 C LIG 1 -3.031 -6.904 -0.272 0.00 0.00 -0.004 A ATOM 46 C LIG 1 -3.609 -8.254 -0.565 0.00 0.00 +0.043 C ATOM 47 C LIG 1 -4.984 -8.405 0.104 0.00 0.00 +0.005 C ATOM 48 C LIG 1 -5.854 -7.156 -0.099 0.00 0.00 +0.005 C ATOM 49 C LIG 1 -5.209 -5.904 0.517 0.00 0.00 +0.037 C ATOM 50 C LIG 1 -3.744 -5.818 0.202 0.00 0.00 -0.023 A ATOM 51 N LIG 1 -0.542 -4.067 0.014 0.00 0.00 -0.225 NA ENDBRANCH 36 37 ENDBRANCH 1 36 TORSDOF 9