REMARK Name = BDB052384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.569 -1.519 0.321 0.00 0.00 -0.024 A ATOM 2 C LIG 1 0.814 -1.263 0.250 0.00 0.00 +0.051 A ATOM 3 C LIG 1 1.659 -1.592 1.315 0.00 0.00 +0.121 A ATOM 4 C LIG 1 1.122 -2.176 2.464 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -0.243 -2.434 2.554 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.082 -2.107 1.491 0.00 0.00 +0.006 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -1.544 -1.168 -0.800 0.00 0.00 +0.107 C ATOM 8 C LIG 1 -0.921 -0.995 -2.191 0.00 0.00 +0.033 C BRANCH 7 10 ATOM 9 C LIG 1 -3.720 -0.200 -0.152 0.00 0.00 +0.409 C ATOM 10 N LIG 1 -2.370 -0.012 -0.423 0.00 0.00 -0.250 N ATOM 11 O LIG 1 -4.272 -1.296 -0.186 0.00 0.00 -0.226 OA BRANCH 9 12 ATOM 12 O LIG 1 -4.366 0.994 0.167 0.00 0.00 -0.411 OA BRANCH 12 16 ATOM 13 C LIG 1 -8.478 0.885 0.933 0.00 0.00 +0.120 A ATOM 14 C LIG 1 -8.003 0.527 -0.332 0.00 0.00 +0.049 A ATOM 15 C LIG 1 -6.630 0.548 -0.597 0.00 0.00 +0.050 A ATOM 16 C LIG 1 -5.741 0.910 0.412 0.00 0.00 +0.133 A ATOM 17 C LIG 1 -6.199 1.290 1.670 0.00 0.00 +0.050 A ATOM 18 C LIG 1 -7.571 1.270 1.927 0.00 0.00 +0.049 A BRANCH 13 20 ATOM 19 C LIG 1 -10.749 0.467 0.368 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -9.790 0.909 1.321 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 12 16 ENDBRANCH 9 12 BRANCH 10 21 ATOM 21 C LIG 1 -1.759 1.320 -0.327 0.00 0.00 +0.232 C BRANCH 21 22 ATOM 22 C LIG 1 -2.002 2.225 -1.530 0.00 0.00 +0.322 C ATOM 23 O LIG 1 -1.548 3.352 -1.662 0.00 0.00 -0.249 OA BRANCH 22 24 ATOM 24 O LIG 1 -2.786 1.701 -2.491 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -2.860 2.414 -3.160 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 10 21 ENDBRANCH 7 10 ENDBRANCH 1 7 BRANCH 3 26 ATOM 26 O LIG 1 3.012 -1.394 1.362 0.00 0.00 -0.486 OA BRANCH 26 27 ATOM 27 C LIG 1 3.636 -0.838 0.201 0.00 0.00 +0.287 C BRANCH 27 28 ATOM 28 C LIG 1 5.109 -0.707 0.378 0.00 0.00 +0.117 A ATOM 29 N LIG 1 5.893 -0.106 -0.587 0.00 0.00 -0.211 NA ATOM 30 C LIG 1 7.119 -0.172 -0.098 0.00 0.00 +0.227 A ATOM 31 O LIG 1 7.195 -0.779 1.129 0.00 0.00 -0.443 OA ATOM 32 C LIG 1 5.910 -1.115 1.420 0.00 0.00 +0.224 A BRANCH 30 33 ATOM 33 C LIG 1 8.371 0.305 -0.679 0.00 0.00 +0.037 A ATOM 34 C LIG 1 8.357 0.937 -1.933 0.00 0.00 +0.014 A ATOM 35 C LIG 1 9.539 1.403 -2.517 0.00 0.00 +0.021 A ATOM 36 C LIG 1 10.750 1.241 -1.848 0.00 0.00 +0.041 A ATOM 37 CL LIG 1 12.206 1.812 -2.563 0.00 0.00 -0.084 Cl ATOM 38 C LIG 1 10.787 0.618 -0.603 0.00 0.00 +0.021 A ATOM 39 C LIG 1 9.602 0.152 -0.022 0.00 0.00 +0.014 A ENDBRANCH 30 33 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 12