REMARK Name = BDB010755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.421 0.396 0.012 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.428 0.786 0.914 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.768 1.063 2.233 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.307 1.452 2.970 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 1.311 1.444 2.127 0.00 0.00 +0.176 A ATOM 6 N LIG 1 -2.009 0.975 2.733 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.898 0.601 1.805 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.936 1.013 0.874 0.00 0.00 -0.314 N ATOM 9 N LIG 1 -2.669 0.321 0.510 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.293 0.477 2.283 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.573 0.751 3.568 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.926 1.043 4.282 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.888 0.561 3.730 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.513 0.711 4.767 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.421 0.165 2.527 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.332 0.122 1.597 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -1.188 0.127 -1.324 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -0.239 -0.134 -1.538 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -3.441 0.209 -2.393 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -2.159 -0.587 -2.167 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -2.368 -2.040 -1.727 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -3.160 -2.980 -2.682 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -3.601 -3.761 -1.427 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -3.397 -2.454 -0.633 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 S LIG 1 2.926 1.911 2.561 0.00 0.00 -0.052 S BRANCH 25 26 ATOM 26 C LIG 1 2.812 3.650 2.169 0.00 0.00 +0.016 A ATOM 27 C LIG 1 3.708 4.202 1.246 0.00 0.00 +0.015 A ATOM 28 C LIG 1 3.643 5.560 0.926 0.00 0.00 +0.001 A ATOM 29 C LIG 1 2.689 6.375 1.532 0.00 0.00 +0.000 A ATOM 30 C LIG 1 1.803 5.837 2.463 0.00 0.00 +0.001 A ATOM 31 C LIG 1 1.868 4.479 2.785 0.00 0.00 +0.015 A ENDBRANCH 25 26 ENDBRANCH 5 25 BRANCH 8 32 ATOM 32 C LIG 1 1.795 0.869 -0.289 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 2.192 -0.590 -0.595 0.00 0.00 +0.009 C ATOM 34 C LIG 1 3.180 -1.170 0.421 0.00 0.00 +0.005 C ATOM 35 C LIG 1 3.476 -2.649 0.148 0.00 0.00 +0.003 C ATOM 36 C LIG 1 3.576 -3.014 -1.344 0.00 0.00 -0.014 C ATOM 37 C LIG 1 2.347 -3.797 -1.817 0.00 0.00 +0.007 C ATOM 38 C LIG 1 3.817 -1.774 -2.208 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.759 -0.685 -2.026 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 8