REMARK Name = BDB005166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.859 -0.408 -1.581 0.00 0.00 +0.103 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.634 -0.706 -1.683 0.00 0.00 -0.025 A ATOM 3 C LIG 1 1.398 -0.806 -0.505 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.780 -1.041 -0.540 0.00 0.00 +0.034 A ATOM 5 C LIG 1 3.406 -1.177 -1.777 0.00 0.00 +0.023 A ATOM 6 C LIG 1 2.667 -1.071 -2.957 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.294 -0.831 -2.914 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.447 -1.115 0.701 0.00 0.00 -0.280 N ATOM 9 H LIG 1 2.865 -0.982 1.514 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 4.796 -1.300 0.932 0.00 0.00 +0.266 C ATOM 11 O LIG 1 5.653 -1.445 0.068 0.00 0.00 -0.268 OA BRANCH 10 12 ATOM 12 C LIG 1 5.164 -1.300 2.329 0.00 0.00 +0.121 A ATOM 13 N LIG 1 6.479 -1.389 2.715 0.00 0.00 -0.272 N ATOM 14 H LIG 1 7.287 -1.464 2.103 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 6.666 -1.365 4.045 0.00 0.00 -0.178 NA ATOM 16 C LIG 1 5.428 -1.285 4.526 0.00 0.00 +0.067 A ATOM 17 C LIG 1 4.452 -1.235 3.513 0.00 0.00 +0.057 A BRANCH 16 18 ATOM 18 C LIG 1 5.101 -1.236 6.041 0.00 0.00 +0.040 C ATOM 19 C LIG 1 4.519 -2.464 6.695 0.00 0.00 +0.010 C ATOM 20 C LIG 1 5.924 -2.043 7.012 0.00 0.00 +0.010 C ENDBRANCH 16 18 ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 N LIG 1 -1.073 1.027 -1.801 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -0.372 1.402 -2.436 0.00 0.00 +0.148 HD BRANCH 21 26 ATOM 23 C LIG 1 -1.599 5.439 0.134 0.00 0.00 +0.063 A ATOM 24 C LIG 1 -1.421 4.048 0.301 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -1.354 3.255 -0.861 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -1.157 1.868 -0.673 0.00 0.00 +0.130 A ATOM 27 N LIG 1 -1.092 1.318 0.548 0.00 0.00 -0.220 NA ATOM 28 C LIG 1 -1.180 2.149 1.584 0.00 0.00 +0.223 A ATOM 29 C LIG 1 -1.494 3.853 -2.139 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -1.675 5.222 -2.281 0.00 0.00 +0.002 A ATOM 31 N LIG 1 -1.326 3.477 1.522 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 -1.721 6.013 -1.146 0.00 0.00 +0.015 A BRANCH 23 36 ATOM 33 N LIG 1 -1.531 5.920 2.546 0.00 0.00 -0.325 N ATOM 34 H LIG 1 -1.421 4.925 2.714 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 -1.634 6.554 3.324 0.00 0.00 +0.145 HD ATOM 36 C LIG 1 -1.684 6.399 1.280 0.00 0.00 +0.244 C ATOM 37 O LIG 1 -1.884 7.597 1.102 0.00 0.00 -0.270 OA ENDBRANCH 23 36 ENDBRANCH 21 26 ENDBRANCH 1 21 BRANCH 1 38 ATOM 38 C LIG 1 -1.698 -1.199 -2.609 0.00 0.00 +0.042 C BRANCH 38 39 ATOM 39 C LIG 1 -3.202 -1.091 -2.304 0.00 0.00 +0.086 C BRANCH 39 40 ATOM 40 N LIG 1 -4.033 -1.838 -3.265 0.00 0.00 -0.298 NA ATOM 41 C LIG 1 -5.473 -1.549 -3.074 0.00 0.00 +0.112 C ATOM 42 C LIG 1 -6.202 -2.608 -2.234 0.00 0.00 +0.175 C ATOM 43 O LIG 1 -6.145 -3.923 -2.805 0.00 0.00 -0.377 OA ATOM 44 C LIG 1 -5.005 -4.118 -3.654 0.00 0.00 +0.175 C ATOM 45 C LIG 1 -3.788 -3.298 -3.200 0.00 0.00 +0.112 C ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 1 38 TORSDOF 10