REMARK Name = BDB062370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.978 -0.315 -1.064 0.00 0.00 +0.030 A ATOM 2 C LIG 1 0.403 -0.442 -0.823 0.00 0.00 +0.046 A ATOM 3 C LIG 1 1.193 -1.466 -1.376 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.554 -2.408 -2.209 0.00 0.00 -0.029 A ATOM 5 C LIG 1 1.309 -3.531 -2.869 0.00 0.00 +0.045 C ATOM 6 C LIG 1 -0.830 -2.319 -2.421 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -1.584 -1.294 -1.845 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -1.667 0.701 -0.396 0.00 0.00 -0.326 N ATOM 9 H LIG 1 -1.056 1.503 -0.246 0.00 0.00 +0.147 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.012 1.131 -0.818 0.00 0.00 +0.233 C BRANCH 10 11 ATOM 11 C LIG 1 -3.174 2.612 -0.559 0.00 0.00 +0.048 A ATOM 12 N LIG 1 -3.437 3.118 0.695 0.00 0.00 -0.362 N ATOM 13 H LIG 1 -3.571 2.562 1.534 0.00 0.00 +0.165 HD ATOM 14 C LIG 1 -3.513 4.484 0.632 0.00 0.00 +0.083 A ATOM 15 C LIG 1 -3.288 4.865 -0.671 0.00 0.00 +0.019 A ATOM 16 C LIG 1 -3.070 3.687 -1.423 0.00 0.00 +0.025 A ENDBRANCH 10 11 BRANCH 10 17 ATOM 17 P LIG 1 -4.308 0.163 0.064 0.00 0.00 +0.359 P ATOM 18 O LIG 1 -4.457 -1.293 -0.279 0.00 0.00 -0.256 OA BRANCH 17 19 ATOM 19 O LIG 1 -5.681 0.990 -0.178 0.00 0.00 -0.307 OA BRANCH 19 21 ATOM 20 C LIG 1 -7.995 1.425 0.178 0.00 0.00 +0.034 C ATOM 21 C LIG 1 -6.872 0.419 0.334 0.00 0.00 +0.167 C ENDBRANCH 19 21 ENDBRANCH 17 19 BRANCH 17 22 ATOM 22 O LIG 1 -4.051 0.429 1.648 0.00 0.00 -0.307 OA BRANCH 22 23 ATOM 23 C LIG 1 -3.154 -0.452 2.310 0.00 0.00 +0.167 C ATOM 24 C LIG 1 -2.351 0.342 3.319 0.00 0.00 +0.034 C ENDBRANCH 22 23 ENDBRANCH 17 22 ENDBRANCH 10 17 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 3 25 ATOM 25 N LIG 1 2.578 -1.548 -1.163 0.00 0.00 -0.283 N ATOM 26 H LIG 1 3.035 -2.398 -1.455 0.00 0.00 +0.155 HD BRANCH 25 27 ATOM 27 C LIG 1 3.515 -0.753 -0.509 0.00 0.00 +0.220 A ATOM 28 N LIG 1 4.753 -1.275 -0.458 0.00 0.00 -0.214 NA ATOM 29 C LIG 1 5.730 -0.569 0.157 0.00 0.00 +0.077 A ATOM 30 C LIG 1 5.482 0.670 0.709 0.00 0.00 +0.048 A ATOM 31 C LIG 1 4.194 1.130 0.603 0.00 0.00 +0.116 A ATOM 32 N LIG 1 3.207 0.442 0.008 0.00 0.00 -0.223 NA BRANCH 29 33 ATOM 33 C LIG 1 7.057 -1.210 0.181 0.00 0.00 +0.019 A ATOM 34 C LIG 1 7.453 -2.094 -0.826 0.00 0.00 +0.120 A ATOM 35 N LIG 1 8.656 -2.722 -0.889 0.00 0.00 -0.263 NA ATOM 36 C LIG 1 9.523 -2.470 0.111 0.00 0.00 +0.111 A ATOM 37 C LIG 1 9.242 -1.622 1.167 0.00 0.00 +0.020 A ATOM 38 C LIG 1 7.998 -0.990 1.198 0.00 0.00 +0.013 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 11