REMARK Name = BDB043248 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.018 -0.213 0.278 0.00 0.00 -0.044 A ATOM 2 C LIG 1 -0.874 0.242 -0.388 0.00 0.00 +0.007 A ATOM 3 C LIG 1 0.365 0.280 0.265 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.475 -0.140 1.591 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -0.667 -0.585 2.259 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -1.903 -0.630 1.608 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -3.360 -0.264 -0.424 0.00 0.00 +0.086 C BRANCH 7 8 ATOM 8 C LIG 1 -4.325 0.901 -0.086 0.00 0.00 +0.192 C BRANCH 8 10 ATOM 9 C LIG 1 -6.706 -0.124 -0.174 0.00 0.00 +0.065 A ATOM 10 C LIG 1 -5.691 0.673 -0.761 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -5.981 1.231 -2.026 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -7.215 1.033 -2.656 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -8.200 0.266 -2.048 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -7.945 -0.317 -0.811 0.00 0.00 +0.015 A BRANCH 9 15 ATOM 15 C LIG 1 -6.521 -0.853 1.102 0.00 0.00 +0.339 C ATOM 16 O LIG 1 -5.717 -1.753 1.274 0.00 0.00 -0.245 OA BRANCH 15 18 ATOM 17 C LIG 1 -7.320 -0.991 3.282 0.00 0.00 +0.280 C ATOM 18 O LIG 1 -7.421 -0.376 1.999 0.00 0.00 -0.464 OA ENDBRANCH 15 18 ENDBRANCH 9 15 ENDBRANCH 8 10 BRANCH 8 19 ATOM 19 C LIG 1 -3.664 2.257 -0.448 0.00 0.00 +0.342 C ATOM 20 O LIG 1 -3.560 3.215 0.308 0.00 0.00 -0.247 OA BRANCH 19 21 ATOM 21 O LIG 1 -3.135 2.345 -1.687 0.00 0.00 -0.478 OA ATOM 22 H LIG 1 -2.742 3.244 -1.703 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 8 19 BRANCH 8 23 ATOM 23 O LIG 1 -4.570 0.970 1.335 0.00 0.00 -0.373 OA ATOM 24 H LIG 1 -3.888 1.560 1.715 0.00 0.00 +0.211 HD ENDBRANCH 8 23 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 25 ATOM 25 O LIG 1 1.619 -0.163 2.340 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 2.877 -0.039 1.667 0.00 0.00 +0.235 C BRANCH 26 27 ATOM 27 C LIG 1 3.287 -1.365 1.026 0.00 0.00 +0.100 C BRANCH 27 28 ATOM 28 C LIG 1 4.517 -1.268 0.199 0.00 0.00 +0.086 A ATOM 29 C LIG 1 4.860 -1.987 -0.926 0.00 0.00 +0.126 A ATOM 30 C LIG 1 4.208 -3.045 -1.717 0.00 0.00 +0.088 C ATOM 31 O LIG 1 6.092 -1.564 -1.337 0.00 0.00 -0.440 OA ATOM 32 C LIG 1 6.444 -0.600 -0.428 0.00 0.00 +0.228 A ATOM 33 N LIG 1 5.532 -0.389 0.505 0.00 0.00 -0.214 NA BRANCH 32 34 ATOM 34 C LIG 1 7.742 0.043 -0.617 0.00 0.00 +0.037 A ATOM 35 C LIG 1 8.171 1.020 0.295 0.00 0.00 +0.013 A ATOM 36 C LIG 1 9.408 1.652 0.140 0.00 0.00 +0.001 A ATOM 37 C LIG 1 10.233 1.314 -0.931 0.00 0.00 +0.000 A ATOM 38 C LIG 1 9.822 0.346 -1.847 0.00 0.00 +0.001 A ATOM 39 C LIG 1 8.585 -0.284 -1.690 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 13