REMARK Name = BDB055270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.383 -0.740 -0.311 0.00 0.00 +0.162 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.649 -0.516 0.687 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -1.346 -0.092 0.573 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -0.952 0.505 1.292 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -3.125 -1.413 -0.007 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.461 0.211 1.785 0.00 0.00 +0.165 C BRANCH 6 7 ATOM 7 N LIG 1 -4.877 -0.019 1.538 0.00 0.00 -0.270 N ATOM 8 H LIG 1 -5.179 -0.981 1.440 0.00 0.00 +0.153 HD ATOM 9 C LIG 1 -5.585 0.824 0.735 0.00 0.00 +0.401 C ATOM 10 O LIG 1 -5.226 1.944 0.408 0.00 0.00 -0.226 OA BRANCH 9 11 ATOM 11 O LIG 1 -6.724 0.204 0.356 0.00 0.00 -0.445 OA BRANCH 11 12 ATOM 12 C LIG 1 -7.657 0.855 -0.543 0.00 0.00 +0.107 C ATOM 13 C LIG 1 -7.015 1.132 -1.907 0.00 0.00 +0.055 C ATOM 14 C LIG 1 -8.790 -0.164 -0.734 0.00 0.00 +0.055 C ATOM 15 C LIG 1 -8.243 2.125 0.084 0.00 0.00 +0.055 C ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 6 7 BRANCH 6 16 ATOM 16 C LIG 1 -3.023 -0.229 3.204 0.00 0.00 +0.015 C ATOM 17 C LIG 1 -3.653 0.696 4.255 0.00 0.00 +0.010 C BRANCH 16 19 ATOM 18 C LIG 1 -2.729 -2.216 4.797 0.00 0.00 +0.004 C ATOM 19 C LIG 1 -3.338 -1.713 3.493 0.00 0.00 +0.002 C ENDBRANCH 16 19 ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 0.857 -1.104 0.535 0.00 0.00 +0.234 C ATOM 21 N LIG 1 1.686 -2.041 -0.042 0.00 0.00 -0.308 N ATOM 22 H LIG 1 1.598 -2.181 -1.041 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 1.090 -0.570 1.620 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 3.005 -2.368 0.500 0.00 0.00 +0.102 C BRANCH 24 25 ATOM 25 C LIG 1 4.107 -1.513 -0.174 0.00 0.00 +0.143 C BRANCH 25 26 ATOM 26 O LIG 1 3.870 -1.474 -1.590 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 4.659 -1.038 -1.977 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 4.108 -0.076 0.362 0.00 0.00 +0.129 C BRANCH 28 29 ATOM 29 C LIG 1 5.292 0.706 -0.162 0.00 0.00 +0.216 C ATOM 30 N LIG 1 5.417 1.950 0.415 0.00 0.00 -0.315 N ATOM 31 H LIG 1 4.692 2.273 1.045 0.00 0.00 +0.149 HD ATOM 32 O LIG 1 6.037 0.281 -1.040 0.00 0.00 -0.276 OA BRANCH 30 33 ATOM 33 C LIG 1 6.421 2.900 -0.020 0.00 0.00 +0.107 C BRANCH 33 34 ATOM 34 C LIG 1 6.017 3.642 -1.303 0.00 0.00 -0.000 C ATOM 35 C LIG 1 7.178 4.505 -1.795 0.00 0.00 +0.009 C ATOM 36 C LIG 1 4.774 4.508 -1.087 0.00 0.00 +0.009 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 BRANCH 24 37 ATOM 37 C LIG 1 3.248 -3.896 0.493 0.00 0.00 +0.028 C BRANCH 37 38 ATOM 38 C LIG 1 3.489 -4.706 -0.799 0.00 0.00 -0.015 C ATOM 39 C LIG 1 4.904 -4.567 -1.360 0.00 0.00 +0.007 C ATOM 40 C LIG 1 2.442 -4.508 -1.890 0.00 0.00 +0.007 C ENDBRANCH 37 38 ENDBRANCH 24 37 ENDBRANCH 21 24 ENDBRANCH 1 20 BRANCH 1 41 ATOM 41 C LIG 1 -0.005 0.150 -1.523 0.00 0.00 +0.015 C ATOM 42 C LIG 1 -1.168 0.195 -2.524 0.00 0.00 +0.010 C BRANCH 41 43 ATOM 43 C LIG 1 0.421 1.573 -1.101 0.00 0.00 +0.002 C ATOM 44 C LIG 1 1.111 2.348 -2.216 0.00 0.00 +0.004 C ENDBRANCH 41 43 ENDBRANCH 1 41 TORSDOF 19