REMARK Name = BDB041373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.975 -1.265 1.164 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.778 -2.651 0.931 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.316 -3.128 0.200 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.301 -4.560 0.087 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.767 -5.136 0.727 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.253 -2.195 -0.312 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.118 -0.821 -0.093 0.00 0.00 -0.038 A ATOM 8 S LIG 1 -1.758 -3.974 1.472 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.018 -0.392 0.659 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.147 -0.679 1.936 0.00 0.00 +0.121 C BRANCH 10 19 ATOM 11 C LIG 1 -4.101 1.783 -0.266 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -4.711 1.058 -1.350 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -5.666 0.199 -0.889 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -5.391 -0.864 -0.028 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -6.369 -1.703 0.416 0.00 0.00 -0.213 NA ATOM 16 C LIG 1 -7.612 -1.463 -0.029 0.00 0.00 +0.213 A ATOM 17 C LIG 1 -7.973 -0.460 -0.902 0.00 0.00 +0.070 A ATOM 18 C LIG 1 -3.968 -1.195 0.383 0.00 0.00 +0.144 C ATOM 19 N LIG 1 -3.276 -0.141 1.147 0.00 0.00 -0.289 NA ATOM 20 C LIG 1 -6.968 0.388 -1.348 0.00 0.00 +0.053 A ATOM 21 C LIG 1 -2.895 1.004 0.303 0.00 0.00 +0.129 C BRANCH 11 23 ATOM 22 C LIG 1 -2.658 3.095 -1.953 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -3.681 3.156 -0.825 0.00 0.00 +0.042 C ENDBRANCH 11 23 BRANCH 16 24 ATOM 24 O LIG 1 -8.542 -2.324 0.451 0.00 0.00 -0.492 OA ATOM 25 H LIG 1 -7.973 -2.876 1.016 0.00 0.00 +0.294 HD ENDBRANCH 16 24 ENDBRANCH 10 19 ENDBRANCH 1 10 BRANCH 7 26 ATOM 26 C LIG 1 2.112 0.226 -0.623 0.00 0.00 +0.066 C BRANCH 26 27 ATOM 27 C LIG 1 3.403 0.287 0.226 0.00 0.00 -0.034 A ATOM 28 C LIG 1 3.708 1.425 1.037 0.00 0.00 -0.017 A ATOM 29 C LIG 1 2.799 2.620 1.138 0.00 0.00 +0.046 C ATOM 30 C LIG 1 4.916 1.404 1.775 0.00 0.00 +0.116 A ATOM 31 N LIG 1 5.459 2.352 2.608 0.00 0.00 -0.129 NA ATOM 32 N LIG 1 6.609 1.888 3.076 0.00 0.00 -0.065 NA ATOM 33 N LIG 1 6.786 0.660 2.557 0.00 0.00 -0.247 N ATOM 34 C LIG 1 7.964 -0.088 2.904 0.00 0.00 +0.175 C ATOM 35 C LIG 1 5.760 0.304 1.724 0.00 0.00 +0.089 A ATOM 36 C LIG 1 5.484 -0.826 0.962 0.00 0.00 +0.030 A ATOM 37 C LIG 1 4.295 -0.807 0.224 0.00 0.00 +0.007 A ENDBRANCH 26 27 BRANCH 26 38 ATOM 38 C LIG 1 2.289 0.309 -2.189 0.00 0.00 +0.073 C ATOM 39 C LIG 1 3.057 -0.834 -2.874 0.00 0.00 +0.023 C ATOM 40 C LIG 1 0.902 0.385 -2.877 0.00 0.00 +0.023 C BRANCH 38 41 ATOM 41 C LIG 1 2.976 1.644 -2.480 0.00 0.00 +0.311 C ATOM 42 O LIG 1 2.435 2.740 -2.486 0.00 0.00 -0.250 OA BRANCH 41 43 ATOM 43 O LIG 1 4.301 1.557 -2.699 0.00 0.00 -0.480 OA ATOM 44 H LIG 1 4.591 2.487 -2.806 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 38 41 ENDBRANCH 26 38 ENDBRANCH 7 26 TORSDOF 9