REMARK Name = BDB062369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.067 -0.756 1.017 0.00 0.00 +0.030 A ATOM 2 C LIG 1 0.263 -0.432 0.690 0.00 0.00 +0.046 A ATOM 3 C LIG 1 1.071 0.406 1.478 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.513 0.928 2.663 0.00 0.00 -0.029 A ATOM 5 C LIG 1 1.282 1.857 3.564 0.00 0.00 +0.045 C ATOM 6 C LIG 1 -0.794 0.573 3.026 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -1.566 -0.266 2.219 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -1.745 -1.641 0.173 0.00 0.00 -0.326 N ATOM 9 H LIG 1 -1.400 -1.528 -0.781 0.00 0.00 +0.147 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.218 -1.795 0.169 0.00 0.00 +0.234 C BRANCH 10 11 ATOM 11 C LIG 1 -3.795 -2.535 1.328 0.00 0.00 +0.068 A ATOM 12 N LIG 1 -3.010 -3.337 2.113 0.00 0.00 -0.279 N ATOM 13 H LIG 1 -2.006 -3.476 2.036 0.00 0.00 +0.189 HD ATOM 14 N LIG 1 -3.689 -3.963 3.088 0.00 0.00 -0.182 NA ATOM 15 C LIG 1 -4.940 -3.527 2.934 0.00 0.00 +0.134 A ATOM 16 C LIG 1 -5.067 -2.640 1.850 0.00 0.00 +0.046 A ENDBRANCH 10 11 BRANCH 10 17 ATOM 17 P LIG 1 -4.094 -0.235 -0.228 0.00 0.00 +0.359 P ATOM 18 O LIG 1 -4.285 0.754 0.887 0.00 0.00 -0.256 OA BRANCH 17 19 ATOM 19 O LIG 1 -5.511 -0.690 -0.873 0.00 0.00 -0.307 OA BRANCH 19 21 ATOM 20 C LIG 1 -6.833 -2.034 -2.325 0.00 0.00 +0.034 C ATOM 21 C LIG 1 -5.559 -1.227 -2.182 0.00 0.00 +0.167 C ENDBRANCH 19 21 ENDBRANCH 17 19 BRANCH 17 22 ATOM 22 O LIG 1 -3.314 0.370 -1.517 0.00 0.00 -0.307 OA BRANCH 22 23 ATOM 23 C LIG 1 -2.533 1.539 -1.319 0.00 0.00 +0.167 C ATOM 24 C LIG 1 -1.478 1.605 -2.403 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 2.366 0.779 1.091 0.00 0.00 -0.283 N ATOM 26 H LIG 1 2.961 1.175 1.802 0.00 0.00 +0.155 HD BRANCH 25 27 ATOM 27 C LIG 1 3.104 0.643 -0.081 0.00 0.00 +0.220 A ATOM 28 N LIG 1 4.386 1.034 0.013 0.00 0.00 -0.214 NA ATOM 29 C LIG 1 5.168 0.964 -1.089 0.00 0.00 +0.077 A ATOM 30 C LIG 1 4.677 0.496 -2.290 0.00 0.00 +0.048 A ATOM 31 C LIG 1 3.357 0.119 -2.296 0.00 0.00 +0.116 A ATOM 32 N LIG 1 2.560 0.188 -1.218 0.00 0.00 -0.223 NA BRANCH 29 33 ATOM 33 C LIG 1 6.561 1.411 -0.909 0.00 0.00 +0.019 A ATOM 34 C LIG 1 7.201 1.308 0.329 0.00 0.00 +0.120 A ATOM 35 N LIG 1 8.480 1.685 0.584 0.00 0.00 -0.263 NA ATOM 36 C LIG 1 9.172 2.210 -0.445 0.00 0.00 +0.111 A ATOM 37 C LIG 1 8.645 2.373 -1.713 0.00 0.00 +0.020 A ATOM 38 C LIG 1 7.329 1.970 -1.942 0.00 0.00 +0.013 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 11