REMARK Name = BDB000356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.726 0.886 -0.762 0.00 0.00 +0.025 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.746 0.457 -1.030 0.00 0.00 -0.003 C BRANCH 2 3 ATOM 3 C LIG 1 0.986 -0.664 -2.091 0.00 0.00 -0.014 C ATOM 4 C LIG 1 0.828 -2.076 -1.519 0.00 0.00 +0.007 C ATOM 5 C LIG 1 0.179 -0.503 -3.382 0.00 0.00 +0.007 C ENDBRANCH 2 3 BRANCH 2 6 ATOM 6 C LIG 1 1.559 1.736 -1.407 0.00 0.00 +0.039 C BRANCH 6 7 ATOM 7 C LIG 1 3.053 1.588 -1.214 0.00 0.00 -0.043 A ATOM 8 C LIG 1 3.586 1.410 0.068 0.00 0.00 +0.053 A ATOM 9 C LIG 1 4.960 1.233 0.246 0.00 0.00 +0.162 A ATOM 10 C LIG 1 5.841 1.301 -0.842 0.00 0.00 +0.162 A ATOM 11 C LIG 1 5.311 1.482 -2.123 0.00 0.00 +0.049 A ATOM 12 C LIG 1 3.928 1.625 -2.306 0.00 0.00 +0.007 A BRANCH 10 13 ATOM 13 O LIG 1 7.177 1.154 -0.573 0.00 0.00 -0.491 OA ATOM 14 C LIG 1 8.072 1.735 -1.513 0.00 0.00 +0.277 C ENDBRANCH 10 13 BRANCH 9 15 ATOM 15 O LIG 1 5.385 1.049 1.540 0.00 0.00 -0.486 OA BRANCH 15 16 ATOM 16 C LIG 1 5.879 -0.289 1.731 0.00 0.00 +0.257 C BRANCH 16 17 ATOM 17 C LIG 1 5.559 -0.734 3.164 0.00 0.00 +0.200 C BRANCH 17 18 ATOM 18 O LIG 1 6.267 0.013 4.159 0.00 0.00 -0.380 OA ATOM 19 C LIG 1 7.616 -0.413 4.319 0.00 0.00 +0.194 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 6 7 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 -1.602 -0.144 -0.003 0.00 0.00 +0.080 C BRANCH 20 21 ATOM 21 N LIG 1 -2.325 -0.932 -1.004 0.00 0.00 -0.325 NA ATOM 22 H LIG 1 -3.216 -0.472 -1.216 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 -2.628 -1.833 -0.621 0.00 0.00 +0.119 HD ENDBRANCH 20 21 BRANCH 20 24 ATOM 24 C LIG 1 -2.583 0.579 0.975 0.00 0.00 +0.132 C BRANCH 24 25 ATOM 25 O LIG 1 -3.719 1.092 0.276 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 -3.378 1.620 -0.470 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -3.069 -0.244 2.178 0.00 0.00 +0.045 C BRANCH 27 28 ATOM 28 C LIG 1 -3.677 -1.628 1.915 0.00 0.00 +0.074 C ATOM 29 C LIG 1 -4.075 -2.285 3.242 0.00 0.00 +0.017 C BRANCH 28 32 ATOM 30 N LIG 1 -5.940 -0.860 1.334 0.00 0.00 -0.315 N ATOM 31 H LIG 1 -5.771 -0.106 1.979 0.00 0.00 +0.149 HD ATOM 32 C LIG 1 -4.879 -1.655 0.974 0.00 0.00 +0.216 C ATOM 33 O LIG 1 -4.896 -2.410 0.008 0.00 0.00 -0.276 OA BRANCH 30 34 ATOM 34 C LIG 1 -7.186 -0.829 0.594 0.00 0.00 +0.104 C BRANCH 34 35 ATOM 35 C LIG 1 -7.263 0.334 -0.395 0.00 0.00 +0.018 C BRANCH 35 37 ATOM 36 C LIG 1 -6.585 1.256 -2.637 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -6.474 0.083 -1.681 0.00 0.00 -0.002 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 28 32 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 20 24 ENDBRANCH 1 20 TORSDOF 19