REMARK Name = BDB013560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.961 2.744 2.632 0.00 0.00 +0.044 C ATOM 2 C LIG 1 1.787 1.809 2.526 0.00 0.00 -0.046 A ATOM 3 C LIG 1 1.855 0.595 1.812 0.00 0.00 -0.028 A ATOM 4 C LIG 1 0.728 -0.252 1.804 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -0.474 0.108 2.432 0.00 0.00 -0.043 A ATOM 6 C LIG 1 -0.533 1.332 3.104 0.00 0.00 +0.004 A ATOM 7 C LIG 1 0.583 2.168 3.153 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 3.125 0.133 1.117 0.00 0.00 +0.145 C BRANCH 8 9 ATOM 9 N LIG 1 2.917 -0.567 -0.171 0.00 0.00 -0.169 NA ATOM 10 S LIG 1 4.159 -1.601 -0.678 0.00 0.00 +0.065 S ATOM 11 O LIG 1 3.732 -2.308 -1.866 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 4.615 -2.330 0.488 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 5.440 -0.479 -1.138 0.00 0.00 +0.147 A ATOM 14 C LIG 1 5.228 0.449 -2.151 0.00 0.00 +0.147 A ATOM 15 C LIG 1 6.281 1.269 -2.565 0.00 0.00 +0.047 A ATOM 16 C LIG 1 7.522 1.197 -1.930 0.00 0.00 +0.004 A ATOM 17 C LIG 1 7.722 0.289 -0.892 0.00 0.00 +0.002 A ATOM 18 O LIG 1 4.054 0.576 -2.832 0.00 0.00 -0.486 OA ATOM 19 C LIG 1 2.968 1.157 -2.090 0.00 0.00 +0.186 C ATOM 20 C LIG 1 3.312 2.474 -1.392 0.00 0.00 +0.053 C ATOM 21 C LIG 1 6.685 -0.557 -0.499 0.00 0.00 +0.032 A ATOM 22 C LIG 1 2.173 0.150 -1.241 0.00 0.00 +0.154 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 C LIG 1 -1.705 -0.790 2.370 0.00 0.00 +0.030 C BRANCH 23 24 ATOM 24 C LIG 1 -1.381 -2.201 2.890 0.00 0.00 +0.128 C BRANCH 24 25 ATOM 25 C LIG 1 -2.534 -2.778 3.662 0.00 0.00 +0.305 C ATOM 26 O LIG 1 -3.364 -3.567 3.245 0.00 0.00 -0.251 OA BRANCH 25 27 ATOM 27 O LIG 1 -2.606 -2.310 4.923 0.00 0.00 -0.481 OA ATOM 28 H LIG 1 -3.377 -2.776 5.310 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 BRANCH 23 29 ATOM 29 C LIG 1 -2.259 -0.769 0.926 0.00 0.00 +0.015 C BRANCH 29 30 ATOM 30 C LIG 1 -3.571 -1.536 0.741 0.00 0.00 +0.059 C BRANCH 30 31 ATOM 31 C LIG 1 -4.211 -1.248 -0.570 0.00 0.00 +0.083 A ATOM 32 N LIG 1 -3.520 -1.386 -1.746 0.00 0.00 -0.135 NA ATOM 33 N LIG 1 -4.330 -1.061 -2.743 0.00 0.00 -0.065 NA ATOM 34 N LIG 1 -5.521 -0.737 -2.210 0.00 0.00 -0.249 N ATOM 35 C LIG 1 -5.494 -0.833 -0.850 0.00 0.00 +0.133 A BRANCH 34 36 ATOM 36 C LIG 1 -6.624 -0.344 -3.072 0.00 0.00 +0.103 C ATOM 37 C LIG 1 -7.049 1.100 -2.811 0.00 0.00 +0.032 C ATOM 38 C LIG 1 -7.806 -1.304 -2.942 0.00 0.00 +0.032 C ENDBRANCH 34 36 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 5 23 TORSDOF 10