REMARK Name = BDB006427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.647 -2.849 -1.287 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.134 -2.159 -0.222 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.344 -1.141 0.661 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.716 -0.765 1.488 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.575 0.240 2.463 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.670 0.861 2.601 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.750 0.488 1.801 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.809 -1.534 1.124 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.593 -0.500 0.818 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.464 -2.393 0.097 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.426 -3.352 -0.520 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.049 1.186 2.000 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.180 0.453 1.716 0.00 0.00 -0.305 N ATOM 14 H LIG 1 4.100 -0.540 1.547 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.078 2.339 2.413 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.517 0.996 1.903 0.00 0.00 +0.101 C ATOM 17 C LIG 1 5.913 0.913 3.383 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.466 0.308 0.927 0.00 0.00 -0.017 A ATOM 19 C LIG 1 6.459 0.641 -0.462 0.00 0.00 +0.005 A ATOM 20 C LIG 1 7.354 -0.055 -1.309 0.00 0.00 +0.071 A ATOM 21 C LIG 1 7.378 0.243 -2.665 0.00 0.00 +0.028 A ATOM 22 C LIG 1 6.541 1.208 -3.226 0.00 0.00 +0.002 A ATOM 23 C LIG 1 5.653 1.895 -2.414 0.00 0.00 +0.001 A ATOM 24 N LIG 1 8.191 -1.006 -0.868 0.00 0.00 -0.255 NA ATOM 25 C LIG 1 8.168 -1.310 0.442 0.00 0.00 +0.112 A ATOM 26 C LIG 1 5.611 1.616 -1.048 0.00 0.00 +0.010 A ATOM 27 C LIG 1 7.338 -0.699 1.361 0.00 0.00 +0.026 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 -3.120 -1.476 1.774 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 -4.165 -0.772 0.942 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -3.941 0.503 0.406 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -4.932 1.148 -0.341 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -6.179 0.547 -0.566 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -6.403 -0.723 -0.013 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -5.413 -1.372 0.733 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -7.220 1.227 -1.355 0.00 0.00 -0.018 A ATOM 36 C LIG 1 -8.513 1.416 -0.839 0.00 0.00 +0.008 A ATOM 37 C LIG 1 -9.501 2.062 -1.588 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -9.211 2.529 -2.868 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.936 2.352 -3.398 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -6.949 1.707 -2.647 0.00 0.00 +0.008 A ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 6