REMARK Name = BDB024961 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.098 -1.551 0.311 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.062 -1.600 -0.642 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.255 -2.619 -1.693 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.019 -4.032 -1.134 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.419 -2.364 -2.943 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.957 -2.250 -2.573 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.781 -1.184 -1.529 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.552 -0.486 -1.455 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.417 -0.666 -2.197 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.469 0.211 -1.760 0.00 0.00 +0.115 A ATOM 11 N LIG 1 0.083 1.000 -0.765 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.376 0.544 -0.548 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.393 0.932 0.323 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.603 0.222 0.258 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.818 -0.860 -0.613 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.192 -2.089 0.140 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.505 2.099 -0.002 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.275 1.607 1.237 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.420 2.537 1.657 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -2.088 4.022 1.484 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -1.609 4.370 0.060 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.291 3.142 -0.802 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -1.066 4.433 2.536 0.00 0.00 +0.308 C ATOM 24 O LIG 1 0.144 4.385 2.381 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.626 4.824 3.703 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.600 4.794 3.715 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.830 -0.927 2.456 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.788 -0.925 1.479 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -1.858 0.289 -2.324 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -2.960 -0.175 -1.396 0.00 0.00 -0.039 A ATOM 31 C LIG 1 -2.828 -1.375 -0.673 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -3.868 -1.812 0.172 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.034 -2.941 1.019 0.00 0.00 +0.027 A ATOM 34 C LIG 1 -5.277 -2.850 1.601 0.00 0.00 +0.086 A ATOM 35 N LIG 1 -5.872 -1.705 1.139 0.00 0.00 -0.350 N ATOM 36 C LIG 1 -7.199 -1.262 1.506 0.00 0.00 +0.149 C ATOM 37 C LIG 1 -5.034 -1.050 0.260 0.00 0.00 +0.049 A ATOM 38 C LIG 1 -5.204 0.133 -0.474 0.00 0.00 +0.026 A ATOM 39 C LIG 1 -4.156 0.548 -1.304 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6