REMARK Name = BDB043066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.367 2.585 0.528 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.967 4.013 0.115 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -2.666 4.995 0.342 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -0.792 4.113 -0.546 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -0.293 3.276 -0.640 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.837 2.535 0.816 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -4.143 3.512 0.949 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.602 1.997 -0.247 0.00 0.00 +0.034 A ATOM 9 C LIG 1 -5.315 0.793 -0.073 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -6.048 0.273 -1.160 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -6.077 0.928 -2.390 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -5.384 2.120 -2.554 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -4.657 2.653 -1.489 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.352 0.059 1.260 0.00 0.00 +0.176 C BRANCH 14 15 ATOM 15 C LIG 1 -4.788 -1.354 1.198 0.00 0.00 -0.015 A ATOM 16 C LIG 1 -3.420 -1.542 0.940 0.00 0.00 +0.006 A ATOM 17 C LIG 1 -2.867 -2.822 0.890 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -3.675 -3.938 1.096 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -5.034 -3.772 1.351 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -5.586 -2.490 1.403 0.00 0.00 +0.006 A ENDBRANCH 14 15 BRANCH 14 21 ATOM 21 O LIG 1 -6.705 0.049 1.735 0.00 0.00 -0.382 OA ATOM 22 H LIG 1 -7.083 0.906 1.478 0.00 0.00 +0.211 HD ENDBRANCH 14 21 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 23 ATOM 23 C LIG 1 -1.616 2.184 1.811 0.00 0.00 +0.068 C BRANCH 23 27 ATOM 24 C LIG 1 2.568 1.386 1.041 0.00 0.00 +0.121 A ATOM 25 C LIG 1 2.180 2.529 1.741 0.00 0.00 +0.046 A ATOM 26 C LIG 1 0.833 2.783 2.006 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -0.152 1.890 1.571 0.00 0.00 -0.045 A ATOM 28 C LIG 1 0.241 0.735 0.883 0.00 0.00 +0.007 A ATOM 29 C LIG 1 1.592 0.485 0.619 0.00 0.00 +0.046 A BRANCH 24 30 ATOM 30 O LIG 1 3.915 1.263 0.843 0.00 0.00 -0.490 OA BRANCH 30 31 ATOM 31 C LIG 1 4.351 0.191 -0.003 0.00 0.00 +0.248 C BRANCH 31 32 ATOM 32 C LIG 1 5.871 0.303 -0.190 0.00 0.00 +0.147 C BRANCH 32 34 ATOM 33 C LIG 1 7.674 -0.123 -1.813 0.00 0.00 +0.131 C ATOM 34 N LIG 1 6.363 -0.534 -1.304 0.00 0.00 -0.315 N BRANCH 34 35 ATOM 35 C LIG 1 6.336 -1.921 -1.033 0.00 0.00 +0.121 A ATOM 36 N LIG 1 6.149 -2.361 0.230 0.00 0.00 -0.240 NA ATOM 37 C LIG 1 6.124 -3.695 0.451 0.00 0.00 +0.113 A ATOM 38 C LIG 1 6.261 -4.645 -0.542 0.00 0.00 +0.020 A ATOM 39 C LIG 1 6.436 -4.199 -1.841 0.00 0.00 +0.005 A ATOM 40 C LIG 1 6.472 -2.827 -2.089 0.00 0.00 +0.043 A ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 14