REMARK Name = BDB033668 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.288 -1.380 0.059 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.337 -2.278 -1.026 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -0.782 -3.232 -1.333 0.00 0.00 +0.044 C ATOM 4 C LIG 1 1.489 -2.307 -1.830 0.00 0.00 +0.004 A ATOM 5 C LIG 1 2.581 -1.471 -1.566 0.00 0.00 +0.004 A ATOM 6 C LIG 1 2.556 -0.585 -0.485 0.00 0.00 -0.039 A ATOM 7 C LIG 1 1.397 -0.541 0.308 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -0.889 -1.289 1.011 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -4.024 0.035 0.479 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.117 -1.176 1.246 0.00 0.00 -0.485 OA ATOM 11 C LIG 1 -3.940 -1.039 2.597 0.00 0.00 +0.150 A ATOM 12 C LIG 1 -3.021 -0.227 3.256 0.00 0.00 +0.165 A ATOM 13 C LIG 1 -2.970 -0.280 4.642 0.00 0.00 +0.143 A ATOM 14 N LIG 1 -3.771 -1.074 5.396 0.00 0.00 -0.261 NA ATOM 15 C LIG 1 -4.643 -1.865 4.736 0.00 0.00 +0.114 A ATOM 16 S LIG 1 -1.828 0.788 2.465 0.00 0.00 +0.066 S ATOM 17 O LIG 1 -2.457 2.068 2.220 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -0.601 0.701 3.229 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -1.541 0.045 0.974 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -4.755 -1.883 3.357 0.00 0.00 +0.067 A ATOM 21 C LIG 1 -2.592 0.193 -0.067 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -6.465 -0.178 -0.217 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -5.021 -0.074 -0.693 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 3.740 0.319 -0.138 0.00 0.00 +0.066 C BRANCH 24 25 ATOM 25 C LIG 1 3.814 1.520 -1.073 0.00 0.00 -0.002 A ATOM 26 S LIG 1 4.587 1.437 -2.601 0.00 0.00 -0.090 S ATOM 27 C LIG 1 4.209 3.061 -2.986 0.00 0.00 +0.055 A ATOM 28 C LIG 1 3.506 3.660 -1.959 0.00 0.00 +0.019 A ATOM 29 C LIG 1 3.281 2.777 -0.863 0.00 0.00 +0.012 A BRANCH 27 30 ATOM 30 C LIG 1 4.631 3.613 -4.271 0.00 0.00 +0.167 C ATOM 31 O LIG 1 5.277 2.989 -5.116 0.00 0.00 -0.292 OA ATOM 32 C LIG 1 4.244 5.048 -4.559 0.00 0.00 +0.092 C ENDBRANCH 27 30 ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 5.075 -0.436 -0.022 0.00 0.00 +0.133 C BRANCH 33 34 ATOM 34 C LIG 1 5.028 -1.451 1.087 0.00 0.00 +0.306 C ATOM 35 O LIG 1 4.588 -1.286 2.212 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 5.587 -2.626 0.734 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 5.494 -3.183 1.536 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 24 33 ENDBRANCH 6 24 TORSDOF 9