REMARK Name = BDB036357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.739 -0.106 -1.992 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.274 -1.134 -2.851 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.083 -1.278 -3.157 0.00 0.00 -0.010 A ATOM 4 C LIG 1 1.317 -2.389 -4.037 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.164 -3.051 -4.379 0.00 0.00 +0.046 A ATOM 6 C LIG 1 2.004 -0.363 -2.593 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.589 0.674 -1.740 0.00 0.00 -0.038 A ATOM 8 S LIG 1 -1.207 -2.351 -3.655 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.226 0.784 -1.462 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.204 0.110 -1.647 0.00 0.00 +0.121 C BRANCH 10 20 ATOM 11 C LIG 1 -4.203 1.042 1.500 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -4.503 -0.162 2.240 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -4.617 -1.325 1.547 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -3.635 -1.833 0.698 0.00 0.00 +0.103 A ATOM 15 N LIG 1 -3.796 -3.007 0.030 0.00 0.00 -0.213 NA ATOM 16 C LIG 1 -4.928 -3.696 0.245 0.00 0.00 +0.213 A ATOM 17 C LIG 1 -5.934 -3.287 1.101 0.00 0.00 +0.070 A ATOM 18 C LIG 1 -2.325 -1.097 0.472 0.00 0.00 +0.107 C ATOM 19 C LIG 1 -1.496 -0.966 1.759 0.00 0.00 +0.031 C ATOM 20 N LIG 1 -2.445 0.233 -0.189 0.00 0.00 -0.286 NA ATOM 21 C LIG 1 -5.766 -2.078 1.768 0.00 0.00 +0.053 A ATOM 22 C LIG 1 -3.756 0.888 0.022 0.00 0.00 +0.130 C BRANCH 11 24 ATOM 23 C LIG 1 -5.295 3.354 1.172 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -5.470 1.914 1.627 0.00 0.00 +0.042 C ENDBRANCH 11 24 BRANCH 16 25 ATOM 25 O LIG 1 -5.024 -4.865 -0.449 0.00 0.00 -0.492 OA ATOM 26 H LIG 1 -5.859 -5.290 -0.208 0.00 0.00 +0.294 HD ENDBRANCH 16 25 ENDBRANCH 10 20 ENDBRANCH 1 10 BRANCH 7 27 ATOM 27 C LIG 1 2.655 1.605 -1.156 0.00 0.00 +0.061 C BRANCH 27 28 ATOM 28 C LIG 1 3.560 0.880 -0.154 0.00 0.00 -0.017 A ATOM 29 C LIG 1 4.971 0.934 -0.231 0.00 0.00 -0.020 A ATOM 30 C LIG 1 5.695 1.661 -1.323 0.00 0.00 +0.046 C ATOM 31 C LIG 1 5.667 0.239 0.747 0.00 0.00 +0.087 A ATOM 32 N LIG 1 7.073 0.094 0.909 0.00 0.00 -0.261 N ATOM 33 H LIG 1 7.458 1.013 1.137 0.00 0.00 +0.168 HD ATOM 34 N LIG 1 7.255 -0.828 2.020 0.00 0.00 -0.159 NA ATOM 35 H LIG 1 7.510 -1.739 1.619 0.00 0.00 +0.168 HD ATOM 36 N LIG 1 5.974 -0.945 2.664 0.00 0.00 -0.236 N ATOM 37 C LIG 1 5.574 -2.164 3.340 0.00 0.00 +0.153 C ATOM 38 C LIG 1 4.990 -0.422 1.777 0.00 0.00 +0.158 A ATOM 39 N LIG 1 3.659 -0.494 1.886 0.00 0.00 -0.237 NA ATOM 40 C LIG 1 2.979 0.154 0.910 0.00 0.00 +0.117 A ENDBRANCH 27 28 BRANCH 27 41 ATOM 41 C LIG 1 2.154 2.904 -0.491 0.00 0.00 +0.133 C BRANCH 41 42 ATOM 42 C LIG 1 1.564 3.865 -1.494 0.00 0.00 +0.306 C ATOM 43 O LIG 1 1.857 3.913 -2.677 0.00 0.00 -0.251 OA BRANCH 42 44 ATOM 44 O LIG 1 0.693 4.737 -0.933 0.00 0.00 -0.481 OA ATOM 45 H LIG 1 0.572 4.628 0.029 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 27 41 ENDBRANCH 7 27 TORSDOF 9