REMARK Name = BDB057551 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.701 0.125 -0.223 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.519 0.930 -0.753 0.00 0.00 +0.121 A ATOM 3 C LIG 1 2.099 -0.086 0.104 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.734 -0.350 0.270 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.228 0.398 -0.420 0.00 0.00 -0.045 A ATOM 6 C LIG 1 0.197 1.416 -1.280 0.00 0.00 +0.007 A ATOM 7 C LIG 1 1.560 1.675 -1.443 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 3.810 1.292 -1.014 0.00 0.00 -0.490 OA BRANCH 8 9 ATOM 9 C LIG 1 4.868 0.605 -0.341 0.00 0.00 +0.248 C BRANCH 9 10 ATOM 10 C LIG 1 5.269 -0.670 -1.096 0.00 0.00 +0.150 C BRANCH 10 12 ATOM 11 C LIG 1 5.830 -2.315 0.697 0.00 0.00 +0.134 C ATOM 12 N LIG 1 6.279 -1.453 -0.383 0.00 0.00 -0.285 N BRANCH 12 13 ATOM 13 C LIG 1 7.559 -1.015 -0.329 0.00 0.00 +0.291 A ATOM 14 O LIG 1 7.936 -0.055 -1.234 0.00 0.00 -0.424 OA ATOM 15 C LIG 1 9.247 0.179 -0.946 0.00 0.00 +0.157 A ATOM 16 C LIG 1 9.598 -0.640 0.112 0.00 0.00 +0.111 A ATOM 17 C LIG 1 10.909 -0.588 0.603 0.00 0.00 +0.031 A ATOM 18 C LIG 1 11.809 0.300 -0.006 0.00 0.00 +0.002 A ATOM 19 C LIG 1 11.411 1.113 -1.076 0.00 0.00 +0.004 A ATOM 20 C LIG 1 10.104 1.072 -1.577 0.00 0.00 +0.048 A ATOM 21 N LIG 1 8.517 -1.390 0.494 0.00 0.00 -0.195 NA ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 CA LIG 1 -2.369 1.112 0.755 0.00 0.00 +0.184 C BRANCH 22 23 ATOM 23 C LIG 1 -1.843 0.849 2.172 0.00 0.00 +0.326 C ATOM 24 O LIG 1 -1.775 -0.231 2.741 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT LIG 1 -1.460 1.974 2.815 0.00 0.00 -0.479 OA ATOM 26 HXT LIG 1 -1.204 1.657 3.706 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 N LIG 1 -3.842 0.934 0.765 0.00 0.00 -0.331 N ATOM 28 H LIG 1 -4.071 -0.037 1.032 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.597 1.310 -0.364 0.00 0.00 +0.038 A ATOM 30 C LIG 1 -5.749 0.580 -0.752 0.00 0.00 +0.038 A ATOM 31 C LIG 1 -6.526 1.000 -1.844 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -6.197 2.163 -2.537 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.099 2.916 -2.139 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -4.317 2.498 -1.058 0.00 0.00 +0.023 A BRANCH 30 35 ATOM 35 C LIG 1 -6.125 -0.672 -0.017 0.00 0.00 +0.168 C ATOM 36 O LIG 1 -5.227 -1.356 0.474 0.00 0.00 -0.292 OA BRANCH 35 37 ATOM 37 C LIG 1 -7.604 -1.056 0.093 0.00 0.00 +0.060 C ATOM 38 C LIG 1 -7.824 -2.329 0.928 0.00 0.00 +0.011 C ATOM 39 C LIG 1 -8.242 -1.826 2.300 0.00 0.00 +0.001 C ATOM 40 C LIG 1 -9.135 -0.647 1.964 0.00 0.00 +0.001 C ATOM 41 C LIG 1 -8.419 0.038 0.805 0.00 0.00 +0.011 C ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 27 29 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 13