REMARK Name = BDB046173 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.095 2.105 -0.494 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -4.269 1.339 -0.479 0.00 0.00 +0.174 A ATOM 3 C LIG 1 -4.368 0.015 -0.869 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -5.747 -0.307 -0.677 0.00 0.00 +0.121 A ATOM 5 N LIG 1 -6.412 0.749 -0.179 0.00 0.00 -0.077 NA ATOM 6 C LIG 1 -3.206 -0.643 -1.311 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -2.003 0.073 -1.342 0.00 0.00 +0.047 A ATOM 8 O LIG 1 -5.492 1.772 -0.074 0.00 0.00 -0.354 OA ATOM 9 C LIG 1 -1.947 1.408 -0.921 0.00 0.00 +0.127 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -6.433 -1.571 -0.939 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -7.382 -2.058 -0.028 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -8.039 -3.267 -0.266 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -7.758 -3.998 -1.419 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -6.826 -3.518 -2.337 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.167 -2.309 -2.100 0.00 0.00 +0.010 A ENDBRANCH 4 10 BRANCH 1 16 ATOM 16 C LIG 1 -3.056 3.547 -0.067 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -3.487 3.213 2.427 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -2.544 3.756 1.362 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 9 19 ATOM 19 O LIG 1 -0.769 2.111 -0.995 0.00 0.00 -0.491 OA BRANCH 19 20 ATOM 20 C LIG 1 0.299 1.531 -0.237 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 C LIG 1 1.461 1.224 -1.171 0.00 0.00 +0.082 C BRANCH 21 22 ATOM 22 C LIG 1 2.651 0.648 -0.414 0.00 0.00 +0.232 C BRANCH 22 23 ATOM 23 O LIG 1 3.679 0.370 -1.364 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 4.850 -0.146 -0.883 0.00 0.00 +0.121 A ATOM 25 C LIG 1 5.830 -0.368 -1.850 0.00 0.00 +0.049 A ATOM 26 C LIG 1 7.074 -0.893 -1.491 0.00 0.00 +0.049 A ATOM 27 C LIG 1 7.355 -1.209 -0.161 0.00 0.00 +0.122 A ATOM 28 C LIG 1 6.378 -0.982 0.808 0.00 0.00 +0.049 A ATOM 29 C LIG 1 5.130 -0.454 0.448 0.00 0.00 +0.049 A BRANCH 27 30 ATOM 30 O LIG 1 8.607 -1.713 0.049 0.00 0.00 -0.481 OA BRANCH 30 31 ATOM 31 C LIG 1 8.924 -2.216 1.338 0.00 0.00 +0.349 C BRANCH 31 32 ATOM 32 C LIG 1 9.342 -1.166 2.357 0.00 0.00 +0.343 C ATOM 33 O LIG 1 9.442 0.039 2.200 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 9.619 -1.713 3.562 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 9.888 -0.943 4.109 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 9 19 TORSDOF 13