REMARK Name = BDB015856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.594 1.453 -0.120 0.00 0.00 +0.067 A ATOM 2 C LIG 1 -1.505 0.061 -0.108 0.00 0.00 +0.133 A ATOM 3 N LIG 1 -0.312 -0.569 -0.058 0.00 0.00 -0.212 NA ATOM 4 C LIG 1 0.810 0.175 -0.048 0.00 0.00 +0.162 A ATOM 5 N LIG 1 0.820 1.518 -0.079 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 -0.384 2.121 -0.114 0.00 0.00 +0.127 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.106 -0.531 -0.004 0.00 0.00 +0.020 A ATOM 8 C LIG 1 3.329 0.174 -0.008 0.00 0.00 +0.020 A ATOM 9 C LIG 1 4.571 -0.482 0.034 0.00 0.00 -0.014 A ATOM 10 C LIG 1 4.591 -1.880 0.079 0.00 0.00 +0.008 A ATOM 11 C LIG 1 3.401 -2.604 0.085 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.175 -1.936 0.045 0.00 0.00 +0.011 A BRANCH 9 13 ATOM 13 C LIG 1 5.803 0.290 0.021 0.00 0.00 +0.020 A ATOM 14 C LIG 1 7.000 -0.104 0.584 0.00 0.00 +0.116 A ATOM 15 N LIG 1 7.884 0.912 0.361 0.00 0.00 -0.274 N ATOM 16 C LIG 1 9.267 0.965 0.767 0.00 0.00 +0.172 C ATOM 17 N LIG 1 7.352 1.949 -0.308 0.00 0.00 -0.179 NA ATOM 18 C LIG 1 6.087 1.570 -0.512 0.00 0.00 +0.142 A ENDBRANCH 9 13 ENDBRANCH 4 7 BRANCH 1 21 ATOM 19 C LIG 1 -4.760 3.591 0.092 0.00 0.00 +0.209 A ATOM 20 S LIG 1 -3.180 3.562 0.765 0.00 0.00 -0.039 S ATOM 21 C LIG 1 -2.871 2.157 -0.180 0.00 0.00 +0.137 A ATOM 22 N LIG 1 -3.899 1.785 -0.919 0.00 0.00 -0.141 NA ATOM 23 N LIG 1 -4.989 2.617 -0.767 0.00 0.00 -0.134 NA BRANCH 19 24 ATOM 24 C LIG 1 -5.762 4.590 0.424 0.00 0.00 +0.366 C ATOM 25 O LIG 1 -6.898 4.646 -0.035 0.00 0.00 -0.243 OA BRANCH 24 27 ATOM 26 C LIG 1 -6.215 6.505 1.709 0.00 0.00 +0.280 C ATOM 27 O LIG 1 -5.278 5.493 1.335 0.00 0.00 -0.463 OA ENDBRANCH 24 27 ENDBRANCH 19 24 ENDBRANCH 1 21 BRANCH 2 28 ATOM 28 N LIG 1 -2.672 -0.719 -0.042 0.00 0.00 -0.324 N ATOM 29 H LIG 1 -3.392 -0.345 -0.666 0.00 0.00 +0.148 HD BRANCH 28 30 ATOM 30 C LIG 1 -2.526 -2.173 -0.175 0.00 0.00 +0.086 C ATOM 31 C LIG 1 -2.164 -2.595 -1.628 0.00 0.00 +0.103 C ATOM 32 N LIG 1 -2.610 -3.942 -2.023 0.00 0.00 -0.314 NA ATOM 33 H LIG 1 -1.968 -4.319 -2.718 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 -2.705 -4.834 -0.875 0.00 0.00 +0.081 C ATOM 35 C LIG 1 -3.788 -4.355 0.095 0.00 0.00 +0.017 C ATOM 36 C LIG 1 -3.851 -2.830 0.232 0.00 0.00 +0.025 C ENDBRANCH 28 30 ENDBRANCH 2 28 TORSDOF 7