REMARK Name = BDB000483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.766 0.443 1.961 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -3.047 0.925 1.644 0.00 0.00 -0.005 A ATOM 3 C LIG 1 -1.973 0.039 1.456 0.00 0.00 +0.124 A ATOM 4 C LIG 1 -2.195 -1.170 0.796 0.00 0.00 +0.046 A ATOM 5 C LIG 1 -3.472 -1.497 0.323 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -4.562 -0.630 0.493 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -4.328 0.581 1.162 0.00 0.00 +0.017 A BRANCH 6 8 ATOM 8 C LIG 1 -5.883 -1.038 -0.034 0.00 0.00 +0.109 A ATOM 9 S LIG 1 -7.266 0.043 0.004 0.00 0.00 -0.072 S ATOM 10 C LIG 1 -8.172 -1.151 -0.726 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -9.576 -1.259 -1.164 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -9.512 -2.562 -2.030 0.00 0.00 +0.011 C ATOM 13 C LIG 1 -8.218 -3.337 -1.609 0.00 0.00 +0.056 C ATOM 14 C LIG 1 -7.431 -2.268 -0.963 0.00 0.00 +0.052 A ATOM 15 N LIG 1 -6.126 -2.228 -0.580 0.00 0.00 -0.244 NA ENDBRANCH 6 8 BRANCH 2 16 ATOM 16 C LIG 1 -2.860 2.257 2.341 0.00 0.00 +0.038 C BRANCH 16 18 ATOM 17 C LIG 1 -3.132 3.791 0.320 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -2.225 3.334 1.454 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 2 16 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 0.366 -0.394 1.724 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 C LIG 1 1.597 0.268 2.342 0.00 0.00 +0.082 C BRANCH 20 21 ATOM 21 C LIG 1 1.959 1.586 1.658 0.00 0.00 +0.232 C BRANCH 21 22 ATOM 22 O LIG 1 2.246 1.397 0.272 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 3.514 1.050 -0.104 0.00 0.00 +0.121 A ATOM 24 C LIG 1 4.591 0.802 0.749 0.00 0.00 +0.049 A ATOM 25 C LIG 1 5.815 0.458 0.191 0.00 0.00 -0.040 A ATOM 26 C LIG 1 7.086 0.123 0.907 0.00 0.00 +0.036 C ATOM 27 C LIG 1 8.111 0.264 -0.228 0.00 0.00 +0.013 C ATOM 28 C LIG 1 7.378 -0.079 -1.546 0.00 0.00 +0.030 C ATOM 29 C LIG 1 5.976 0.340 -1.193 0.00 0.00 -0.040 A ATOM 30 C LIG 1 4.918 0.577 -2.051 0.00 0.00 +0.008 A ATOM 31 C LIG 1 3.686 0.935 -1.496 0.00 0.00 +0.046 A BRANCH 28 32 ATOM 32 C LIG 1 7.441 -1.562 -1.903 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 8.810 -1.937 -2.386 0.00 0.00 +0.305 C ATOM 34 O LIG 1 9.670 -2.511 -1.741 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 9.039 -1.557 -3.657 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 9.953 -1.863 -3.839 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12