REMARK Name = BDB050959 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.974 -0.050 0.082 0.00 0.00 +0.105 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.542 1.289 -0.105 0.00 0.00 -0.276 N ATOM 3 H LIG 1 -1.838 1.593 -1.024 0.00 0.00 +0.152 HD ATOM 4 C LIG 1 -1.749 2.179 0.904 0.00 0.00 +0.401 C ATOM 5 O LIG 1 -1.453 1.996 2.071 0.00 0.00 -0.226 OA BRANCH 4 6 ATOM 6 O LIG 1 -2.315 3.289 0.383 0.00 0.00 -0.445 OA BRANCH 6 7 ATOM 7 C LIG 1 -2.659 4.413 1.234 0.00 0.00 +0.107 C ATOM 8 C LIG 1 -1.411 5.025 1.881 0.00 0.00 +0.055 C ATOM 9 C LIG 1 -3.276 5.449 0.282 0.00 0.00 +0.055 C ATOM 10 C LIG 1 -3.712 4.019 2.277 0.00 0.00 +0.055 C ENDBRANCH 6 7 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 0.481 -0.085 -0.472 0.00 0.00 +0.135 C BRANCH 11 12 ATOM 12 O LIG 1 1.227 1.039 0.024 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 0.611 1.795 0.034 0.00 0.00 +0.210 HD ENDBRANCH 11 12 BRANCH 11 14 ATOM 14 C LIG 1 1.258 -1.336 -0.025 0.00 0.00 +0.045 C BRANCH 14 15 ATOM 15 C LIG 1 2.343 -1.802 -1.017 0.00 0.00 +0.074 C ATOM 16 C LIG 1 1.707 -2.565 -2.185 0.00 0.00 +0.017 C BRANCH 15 19 ATOM 17 N LIG 1 3.773 0.152 -0.588 0.00 0.00 -0.315 N ATOM 18 H LIG 1 3.079 0.409 0.111 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 3.293 -0.718 -1.545 0.00 0.00 +0.216 C ATOM 20 O LIG 1 3.662 -0.681 -2.717 0.00 0.00 -0.276 OA BRANCH 17 21 ATOM 21 C LIG 1 4.659 1.229 -0.982 0.00 0.00 +0.104 C BRANCH 21 22 ATOM 22 C LIG 1 5.258 1.948 0.223 0.00 0.00 +0.018 C BRANCH 22 24 ATOM 23 C LIG 1 6.826 1.806 2.192 0.00 0.00 +0.004 C ATOM 24 C LIG 1 6.208 1.054 1.023 0.00 0.00 -0.002 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 15 19 ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 1 25 ATOM 25 C LIG 1 -1.865 -1.095 -0.627 0.00 0.00 +0.028 C BRANCH 25 26 ATOM 26 C LIG 1 -2.992 -1.683 0.257 0.00 0.00 -0.008 C ATOM 27 C LIG 1 -4.024 -0.628 0.664 0.00 0.00 +0.008 C BRANCH 26 28 ATOM 28 C LIG 1 -3.719 -2.841 -0.469 0.00 0.00 +0.038 C BRANCH 28 29 ATOM 29 C LIG 1 -2.838 -4.039 -0.744 0.00 0.00 -0.047 A ATOM 30 C LIG 1 -2.357 -4.827 0.311 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -1.527 -5.919 0.057 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -1.172 -6.237 -1.252 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -1.651 -5.466 -2.309 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.482 -4.373 -2.058 0.00 0.00 +0.003 A ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 15