REMARK Name = BDB063159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.312 -1.778 -1.644 0.00 0.00 +0.052 A ATOM 2 N LIG 1 0.349 -2.881 -2.148 0.00 0.00 -0.339 N ATOM 3 H LIG 1 -0.110 -3.685 -2.552 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 1.700 -2.758 -2.010 0.00 0.00 +0.139 A ATOM 5 C LIG 1 1.958 -1.536 -1.404 0.00 0.00 +0.027 A ATOM 6 C LIG 1 3.308 -1.201 -1.163 0.00 0.00 -0.006 A ATOM 7 C LIG 1 4.274 -2.141 -1.551 0.00 0.00 +0.029 A ATOM 8 C LIG 1 3.869 -3.327 -2.149 0.00 0.00 +0.114 A ATOM 9 N LIG 1 2.592 -3.685 -2.403 0.00 0.00 -0.237 NA ATOM 10 C LIG 1 0.686 -0.934 -1.172 0.00 0.00 +0.038 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.739 -0.197 -1.278 0.00 0.00 -0.033 A ATOM 12 C LIG 1 -2.352 -0.405 -1.293 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -1.786 -1.643 -1.661 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -2.660 -2.697 -2.026 0.00 0.00 +0.129 A ATOM 15 C LIG 1 -4.047 -2.486 -2.018 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -4.579 -1.250 -1.647 0.00 0.00 +0.008 A BRANCH 14 17 ATOM 17 O LIG 1 -2.087 -3.895 -2.386 0.00 0.00 -0.494 OA ATOM 18 C LIG 1 -2.950 -5.004 -2.608 0.00 0.00 +0.277 C ENDBRANCH 14 17 BRANCH 11 19 ATOM 19 C LIG 1 -4.316 1.146 -0.882 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 N LIG 1 -5.218 1.086 0.283 0.00 0.00 -0.299 NA BRANCH 20 22 ATOM 21 C LIG 1 -3.478 1.581 2.085 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -4.543 0.647 1.516 0.00 0.00 +0.081 C ENDBRANCH 20 22 BRANCH 20 23 ATOM 23 C LIG 1 -5.946 2.358 0.416 0.00 0.00 +0.081 C ATOM 24 C LIG 1 -7.038 2.335 1.481 0.00 0.00 +0.020 C ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 6 25 ATOM 25 C LIG 1 3.661 0.071 -0.531 0.00 0.00 -0.017 A ATOM 26 C LIG 1 4.288 0.098 0.728 0.00 0.00 +0.013 A ATOM 27 C LIG 1 4.655 1.304 1.363 0.00 0.00 -0.030 A ATOM 28 C LIG 1 4.336 2.511 0.708 0.00 0.00 +0.062 A ATOM 29 C LIG 1 3.734 2.497 -0.559 0.00 0.00 +0.016 A ATOM 30 C LIG 1 3.400 1.289 -1.170 0.00 0.00 +0.009 A BRANCH 27 31 ATOM 31 C LIG 1 5.377 1.262 2.704 0.00 0.00 +0.014 C ATOM 32 C LIG 1 6.597 0.332 2.688 0.00 0.00 +0.012 C ATOM 33 C LIG 1 4.416 0.866 3.828 0.00 0.00 +0.012 C ENDBRANCH 27 31 BRANCH 28 34 ATOM 34 C LIG 1 4.606 3.853 1.269 0.00 0.00 +0.337 C ATOM 35 O LIG 1 5.110 4.787 0.676 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 4.120 3.980 2.516 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 4.301 4.915 2.747 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 28 34 ENDBRANCH 6 25 TORSDOF 10