REMARK Name = BDB057922 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.100 3.540 0.641 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.353 2.284 -0.019 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.213 0.982 0.147 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.521 0.095 -0.643 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.224 -1.279 -0.686 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.845 -1.752 0.080 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.607 -0.885 0.863 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.505 0.836 -1.277 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.290 0.481 0.914 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.404 2.167 -0.917 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.325 3.221 -1.433 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.736 -1.453 1.651 0.00 0.00 +0.244 C ATOM 13 N LIG 1 3.792 -0.602 1.901 0.00 0.00 -0.307 N ATOM 14 H LIG 1 3.858 0.252 1.366 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 2.707 -2.625 2.011 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.011 -1.075 2.516 0.00 0.00 +0.139 C BRANCH 16 17 ATOM 17 C LIG 1 6.076 -1.314 1.476 0.00 0.00 -0.030 A ATOM 18 C LIG 1 7.051 -0.341 1.209 0.00 0.00 +0.009 A ATOM 19 C LIG 1 8.033 -0.546 0.226 0.00 0.00 -0.044 A ATOM 20 C LIG 1 8.018 -1.748 -0.496 0.00 0.00 +0.004 A ATOM 21 C LIG 1 7.047 -2.718 -0.245 0.00 0.00 +0.001 A ATOM 22 C LIG 1 6.079 -2.502 0.733 0.00 0.00 +0.005 A BRANCH 19 23 ATOM 23 C LIG 1 9.097 0.496 -0.070 0.00 0.00 +0.013 C ATOM 24 C LIG 1 8.479 1.800 -0.583 0.00 0.00 +0.012 C ATOM 25 C LIG 1 9.985 0.756 1.149 0.00 0.00 +0.012 C ENDBRANCH 19 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 -2.472 0.287 -2.231 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -3.862 0.155 -1.656 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -4.097 -0.526 -0.453 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -5.395 -0.660 0.049 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -6.494 -0.129 -0.642 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -6.257 0.543 -1.849 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.960 0.678 -2.354 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -7.857 -0.260 -0.106 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -8.540 -1.489 -0.012 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -9.809 -1.565 0.586 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -10.427 -0.413 1.067 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -9.780 0.814 0.962 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.508 0.889 0.385 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -7.976 -2.759 -0.510 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -7.953 -3.812 0.098 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -7.566 -2.662 -1.786 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -7.232 -3.557 -2.001 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 9