REMARK Name = BDB043089 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.864 1.711 -1.345 0.00 0.00 +0.159 C ATOM 2 C LIG 1 1.321 1.617 -1.269 0.00 0.00 +0.236 C ATOM 3 O LIG 1 0.716 2.374 -0.502 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 0.670 0.549 -1.855 0.00 0.00 -0.292 N ATOM 5 C LIG 1 1.123 -0.188 -3.030 0.00 0.00 +0.077 C ATOM 6 C LIG 1 -0.080 -1.023 -3.473 0.00 0.00 +0.028 C ATOM 7 C LIG 1 -1.020 -1.075 -2.278 0.00 0.00 +0.014 C ATOM 8 C LIG 1 -0.841 -2.325 -1.419 0.00 0.00 +0.021 C ATOM 9 C LIG 1 -1.813 -2.292 -0.230 0.00 0.00 +0.086 C ATOM 10 N LIG 1 -1.963 -0.979 0.436 0.00 0.00 -0.290 NA ATOM 11 C LIG 1 -0.859 -0.073 0.055 0.00 0.00 +0.108 C ATOM 12 C LIG 1 2.370 -1.010 -2.725 0.00 0.00 +0.022 C ATOM 13 C LIG 1 3.656 -0.202 -2.900 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -0.705 0.195 -1.469 0.00 0.00 +0.094 C ATOM 15 C LIG 1 3.539 1.303 -2.651 0.00 0.00 +0.032 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 4.668 1.251 0.300 0.00 0.00 +0.230 C ATOM 17 N LIG 1 3.393 1.017 -0.170 0.00 0.00 -0.303 N ATOM 18 H LIG 1 2.716 0.631 0.477 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 5.481 1.965 -0.284 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 4.985 0.561 1.648 0.00 0.00 +0.137 C ATOM 21 C LIG 1 4.849 1.611 2.749 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 6.785 -0.670 2.770 0.00 0.00 +0.101 C ATOM 23 N LIG 1 6.322 -0.052 1.542 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 6.981 0.666 1.232 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 10 25 ATOM 25 C LIG 1 -3.321 -0.386 0.237 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 C LIG 1 -4.462 -1.289 0.736 0.00 0.00 -0.026 A ATOM 27 C LIG 1 -5.667 -1.352 0.015 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -6.723 -2.152 0.457 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -6.593 -2.895 1.628 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.410 -2.837 2.362 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.354 -2.037 1.922 0.00 0.00 +0.005 A ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 C LIG 1 -3.485 1.010 0.850 0.00 0.00 -0.026 A ATOM 33 C LIG 1 -3.208 1.256 2.206 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -3.372 2.531 2.749 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.818 3.579 1.946 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.101 3.353 0.601 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.938 2.078 0.056 0.00 0.00 +0.005 A ENDBRANCH 25 32 ENDBRANCH 10 25 TORSDOF 6