REMARK Name = BDB064899 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.051 -2.241 -0.802 0.00 0.00 +0.045 A ATOM 2 C LIG 1 -1.370 -1.841 -1.121 0.00 0.00 +0.140 A ATOM 3 O LIG 1 -1.700 -0.546 -0.800 0.00 0.00 -0.455 OA ATOM 4 C LIG 1 -2.985 -0.096 -0.980 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -3.244 1.232 -0.568 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -4.553 1.738 -0.638 0.00 0.00 +0.127 A ATOM 7 C LIG 1 -5.566 0.961 -1.193 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -5.286 -0.331 -1.644 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -3.997 -0.887 -1.534 0.00 0.00 +0.005 A ATOM 10 C LIG 1 -3.703 -2.302 -2.027 0.00 0.00 +0.022 C ATOM 11 C LIG 1 -4.660 -3.293 -1.324 0.00 0.00 +0.021 C ATOM 12 C LIG 1 -3.938 -2.349 -3.553 0.00 0.00 +0.021 C ATOM 13 C LIG 1 -2.264 -2.724 -1.736 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -1.802 -4.014 -2.066 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -0.502 -4.419 -1.762 0.00 0.00 +0.046 A ATOM 16 C LIG 1 0.362 -3.546 -1.105 0.00 0.00 +0.127 A ENDROOT BRANCH 6 17 ATOM 17 O LIG 1 -4.747 3.018 -0.180 0.00 0.00 -0.495 OA ATOM 18 C LIG 1 -6.025 3.266 0.400 0.00 0.00 +0.277 C ENDBRANCH 6 17 BRANCH 16 19 ATOM 19 O LIG 1 1.648 -3.903 -0.792 0.00 0.00 -0.495 OA ATOM 20 C LIG 1 1.716 -5.117 -0.044 0.00 0.00 +0.277 C ENDBRANCH 16 19 BRANCH 1 21 ATOM 21 C LIG 1 0.880 -1.298 -0.065 0.00 0.00 +0.138 C BRANCH 21 24 ATOM 22 C LIG 1 1.589 1.063 1.554 0.00 0.00 +0.201 C ATOM 23 N LIG 1 1.045 -0.147 2.136 0.00 0.00 -0.267 N ATOM 24 C LIG 1 0.627 -1.268 1.440 0.00 0.00 +0.222 C ATOM 25 O LIG 1 0.106 -2.218 2.027 0.00 0.00 -0.275 OA ATOM 26 C LIG 1 0.538 0.079 3.492 0.00 0.00 +0.161 C ATOM 27 C LIG 1 1.281 -0.716 4.554 0.00 0.00 +0.038 C ATOM 28 C LIG 1 0.784 1.573 3.678 0.00 0.00 +0.237 C ATOM 29 O LIG 1 0.423 2.244 4.634 0.00 0.00 -0.274 OA ATOM 30 N LIG 1 1.528 2.038 2.606 0.00 0.00 -0.280 N ATOM 31 C LIG 1 1.780 3.440 2.366 0.00 0.00 +0.134 C BRANCH 22 33 ATOM 32 C LIG 1 3.389 1.413 -0.229 0.00 0.00 +0.169 A ATOM 33 C LIG 1 3.007 0.893 1.030 0.00 0.00 +0.038 A ATOM 34 C LIG 1 3.976 0.242 1.815 0.00 0.00 +0.043 A ATOM 35 C LIG 1 5.288 0.114 1.350 0.00 0.00 +0.130 A ATOM 36 C LIG 1 5.671 0.652 0.117 0.00 0.00 +0.082 A ATOM 37 C LIG 1 4.731 1.324 -0.671 0.00 0.00 +0.164 A BRANCH 35 38 ATOM 38 N LIG 1 6.281 -0.584 2.175 0.00 0.00 +0.057 N ATOM 39 O LIG 1 5.856 -1.335 3.066 0.00 0.00 -0.126 OA ATOM 40 O LIG 1 7.478 -0.380 1.929 0.00 0.00 -0.126 OA ENDBRANCH 35 38 BRANCH 37 41 ATOM 41 O LIG 1 5.041 1.940 -1.855 0.00 0.00 -0.491 OA ATOM 42 C LIG 1 6.395 1.916 -2.295 0.00 0.00 +0.277 C ENDBRANCH 37 41 BRANCH 32 43 ATOM 43 O LIG 1 2.395 2.056 -0.933 0.00 0.00 -0.488 OA BRANCH 43 45 ATOM 44 C LIG 1 0.886 1.920 -2.788 0.00 0.00 +0.048 C ATOM 45 C LIG 1 2.320 1.716 -2.325 0.00 0.00 +0.226 C ENDBRANCH 43 45 ENDBRANCH 32 43 ENDBRANCH 22 33 ENDBRANCH 21 24 ENDBRANCH 1 21 BRANCH 5 46 ATOM 46 C LIG 1 -2.144 2.106 -0.011 0.00 0.00 +0.138 C BRANCH 46 47 ATOM 47 C LIG 1 -2.122 2.137 1.502 0.00 0.00 +0.215 C ATOM 48 O LIG 1 -2.303 1.161 2.222 0.00 0.00 -0.276 OA ATOM 49 N LIG 1 -1.795 3.344 2.055 0.00 0.00 -0.329 N ATOM 50 H LIG 1 -1.832 3.385 3.069 0.00 0.00 +0.145 HD ATOM 51 H LIG 1 -1.954 4.208 1.550 0.00 0.00 +0.145 HD ENDBRANCH 46 47 ENDBRANCH 5 46 TORSDOF 11