REMARK Name = BDB039237 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.345 1.325 -1.138 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.462 0.315 -0.801 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.086 0.618 -0.418 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.186 -0.586 -0.290 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.665 -1.901 -0.491 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.801 -2.999 -0.388 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.452 -2.840 -0.057 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.990 -1.538 0.162 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.243 -1.004 0.487 0.00 0.00 -0.320 N ATOM 10 C LIG 1 -0.096 0.371 0.591 0.00 0.00 +0.142 A ATOM 11 N LIG 1 1.139 0.728 0.301 0.00 0.00 -0.227 NA ATOM 12 C LIG 1 5.106 -2.117 -0.880 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.826 -0.431 0.049 0.00 0.00 +0.095 A ATOM 14 C LIG 1 5.994 -0.976 -0.394 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.552 1.163 -1.282 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.156 1.318 0.927 0.00 0.00 +0.021 A ATOM 17 C LIG 1 -1.611 2.218 -0.044 0.00 0.00 +0.058 A ATOM 18 C LIG 1 -2.624 3.136 0.257 0.00 0.00 +0.135 A ATOM 19 C LIG 1 -3.199 3.147 1.533 0.00 0.00 +0.100 A ATOM 20 C LIG 1 -2.744 2.246 2.507 0.00 0.00 +0.019 A ATOM 21 C LIG 1 -1.718 1.346 2.209 0.00 0.00 +0.012 A BRANCH 18 22 ATOM 22 O LIG 1 -3.119 3.938 -0.738 0.00 0.00 -0.494 OA ATOM 23 C LIG 1 -2.152 4.905 -1.153 0.00 0.00 +0.277 C ENDBRANCH 18 22 BRANCH 19 24 ATOM 24 C LIG 1 -4.290 4.063 1.923 0.00 0.00 +0.340 C ATOM 25 O LIG 1 -5.202 3.784 2.681 0.00 0.00 -0.245 OA BRANCH 24 26 ATOM 26 O LIG 1 -4.134 5.306 1.438 0.00 0.00 -0.477 OA ATOM 27 H LIG 1 -4.907 5.796 1.788 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 19 24 ENDBRANCH 10 16 BRANCH 1 29 ATOM 28 C LIG 1 6.602 3.599 -1.644 0.00 0.00 +0.282 C ATOM 29 O LIG 1 5.726 2.528 -1.292 0.00 0.00 -0.454 OA ENDBRANCH 1 29 BRANCH 9 30 ATOM 30 C LIG 1 -1.506 -1.737 0.628 0.00 0.00 +0.091 C ATOM 31 C LIG 1 -1.469 -2.705 1.815 0.00 0.00 +0.031 C BRANCH 30 32 ATOM 32 C LIG 1 -1.923 -2.402 -0.699 0.00 0.00 +0.060 C BRANCH 32 33 ATOM 33 C LIG 1 -3.380 -2.800 -0.727 0.00 0.00 -0.045 A ATOM 34 C LIG 1 -4.376 -1.828 -0.902 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -5.723 -2.190 -0.909 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.088 -3.525 -0.745 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.107 -4.499 -0.573 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -3.758 -4.139 -0.565 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 9 30 TORSDOF 8