REMARK Name = BDB033670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.467 -1.473 0.595 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.096 -2.647 1.282 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -0.936 -3.225 2.389 0.00 0.00 +0.044 C ATOM 4 C LIG 1 1.106 -3.290 0.946 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.930 -2.800 -0.068 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.570 -1.651 -0.779 0.00 0.00 -0.038 A ATOM 7 C LIG 1 0.373 -1.001 -0.432 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.775 -0.755 0.888 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -3.807 1.823 -0.116 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.514 0.851 0.673 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -4.484 1.082 2.022 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -3.380 1.456 2.790 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -3.518 1.628 4.179 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -4.751 1.428 4.798 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -5.848 1.039 4.036 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -1.739 1.639 2.137 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -1.587 3.030 1.767 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -0.840 1.018 3.088 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -1.697 0.720 0.721 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -5.711 0.859 2.659 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -2.420 1.263 -0.457 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -4.096 3.120 -2.302 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.657 2.053 -1.377 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.444 -1.076 -1.894 0.00 0.00 +0.069 C BRANCH 24 25 ATOM 25 C LIG 1 3.622 -0.309 -1.297 0.00 0.00 -0.001 A ATOM 26 S LIG 1 5.106 -1.066 -0.890 0.00 0.00 -0.090 S ATOM 27 C LIG 1 5.796 0.388 -0.307 0.00 0.00 +0.055 A ATOM 28 C LIG 1 4.900 1.435 -0.406 0.00 0.00 +0.019 A ATOM 29 C LIG 1 3.655 1.036 -0.973 0.00 0.00 +0.012 A BRANCH 27 30 ATOM 30 C LIG 1 7.159 0.376 0.213 0.00 0.00 +0.167 C ATOM 31 O LIG 1 7.840 -0.642 0.347 0.00 0.00 -0.292 OA ATOM 32 C LIG 1 7.740 1.710 0.620 0.00 0.00 +0.092 C ENDBRANCH 27 30 ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 2.831 -2.105 -2.988 0.00 0.00 +0.107 C ATOM 34 C LIG 1 3.540 -1.470 -4.190 0.00 0.00 +0.020 C BRANCH 33 35 ATOM 35 C LIG 1 1.605 -2.825 -3.503 0.00 0.00 +0.308 C ATOM 36 O LIG 1 1.459 -4.035 -3.568 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 0.633 -2.006 -3.951 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -0.075 -2.624 -4.232 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 24 33 ENDBRANCH 6 24 TORSDOF 9