REMARK Name = BDB006356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.531 -0.150 -2.075 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -2.204 -1.391 -1.507 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.884 -1.875 -1.613 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -0.242 -3.061 -1.164 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.072 -3.001 -1.562 0.00 0.00 +0.087 A ATOM 6 N LIG 1 1.262 -1.816 -2.232 0.00 0.00 -0.342 N ATOM 7 C LIG 1 0.072 -1.112 -2.291 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -0.249 0.121 -2.882 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -1.564 0.584 -2.766 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 -4.646 0.042 -0.881 0.00 0.00 -0.305 N ATOM 11 H LIG 1 -4.173 -0.406 -0.108 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 -3.909 0.408 -1.987 0.00 0.00 +0.245 C ATOM 13 O LIG 1 -4.321 1.177 -2.848 0.00 0.00 -0.270 OA BRANCH 10 15 ATOM 14 C LIG 1 -7.018 -0.048 -1.563 0.00 0.00 +0.033 C ATOM 15 C LIG 1 -5.973 0.585 -0.639 0.00 0.00 +0.100 C BRANCH 15 16 ATOM 16 C LIG 1 -6.332 0.416 0.830 0.00 0.00 -0.027 A ATOM 17 C LIG 1 -6.376 1.543 1.668 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -6.686 1.415 3.025 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -6.949 0.147 3.556 0.00 0.00 +0.126 A ATOM 20 C LIG 1 -6.900 -0.989 2.739 0.00 0.00 +0.033 A ATOM 21 C LIG 1 -6.589 -0.850 1.384 0.00 0.00 +0.007 A BRANCH 19 22 ATOM 22 N LIG 1 -7.274 0.006 4.981 0.00 0.00 +0.056 N ATOM 23 O LIG 1 -7.320 1.038 5.667 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 -7.481 -1.136 5.415 0.00 0.00 -0.126 OA ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 12 BRANCH 6 25 ATOM 25 C LIG 1 2.530 -1.415 -2.831 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.493 -0.881 -1.800 0.00 0.00 -0.028 A ATOM 27 C LIG 1 4.591 -1.648 -1.389 0.00 0.00 +0.006 A ATOM 28 C LIG 1 5.489 -1.153 -0.439 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.313 0.119 0.121 0.00 0.00 -0.017 A ATOM 30 C LIG 1 4.208 0.881 -0.285 0.00 0.00 +0.009 A ATOM 31 C LIG 1 3.309 0.388 -1.235 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 6.248 0.633 1.131 0.00 0.00 -0.004 A ATOM 33 C LIG 1 7.247 1.589 0.853 0.00 0.00 +0.067 A ATOM 34 C LIG 1 8.078 2.064 1.884 0.00 0.00 +0.015 A ATOM 35 C LIG 1 7.928 1.595 3.189 0.00 0.00 +0.001 A ATOM 36 C LIG 1 6.950 0.649 3.475 0.00 0.00 +0.001 A ATOM 37 C LIG 1 6.120 0.174 2.457 0.00 0.00 +0.009 A BRANCH 33 38 ATOM 38 C LIG 1 7.476 2.088 -0.528 0.00 0.00 +0.337 C ATOM 39 O LIG 1 7.351 1.478 -1.571 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 7.859 3.381 -0.525 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 7.958 3.590 -1.478 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 9