REMARK Name = BDB024620 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.267 -0.929 -1.494 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.508 -0.927 -0.310 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.041 -1.580 0.912 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.227 -0.791 1.496 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.020 -1.770 2.046 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.671 -2.163 1.491 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.219 -1.056 0.585 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.879 -0.618 0.562 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.185 -1.038 1.321 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.229 -0.346 0.911 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.858 0.550 -0.069 0.00 0.00 -0.326 N ATOM 12 C LIG 1 0.487 0.382 -0.317 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.378 0.996 -1.197 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.706 0.550 -1.171 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.144 -0.466 -0.307 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.928 -0.462 -2.577 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 7.266 -1.627 -2.524 0.00 0.00 +0.282 C ATOM 18 O LIG 1 6.467 -1.569 -1.341 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.710 1.524 -0.731 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 -1.640 2.895 -0.045 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 -2.615 3.863 -0.582 0.00 0.00 -0.296 NA ATOM 22 C LIG 1 -2.280 4.288 -1.961 0.00 0.00 +0.112 C ATOM 23 C LIG 1 -3.245 5.373 -2.469 0.00 0.00 +0.175 C ATOM 24 O LIG 1 -3.240 6.517 -1.607 0.00 0.00 -0.377 OA ATOM 25 C LIG 1 -3.619 6.131 -0.281 0.00 0.00 +0.175 C ATOM 26 C LIG 1 -2.660 5.069 0.280 0.00 0.00 +0.112 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 27 ATOM 27 C LIG 1 -2.614 -0.494 1.462 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.497 -1.439 0.625 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.156 -2.923 0.597 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -3.669 -3.713 -0.450 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.405 -5.082 -0.515 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -2.625 -5.687 0.465 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.112 -4.923 1.510 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.378 -3.553 1.578 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.939 -1.236 1.046 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -5.868 -0.971 0.297 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.159 -1.391 2.367 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -6.131 -1.305 2.463 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 9