REMARK Name = BDB065230 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.223 2.625 -0.550 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -4.130 3.463 -0.282 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -2.873 2.892 -0.079 0.00 0.00 +0.062 A ATOM 4 C LIG 1 -2.687 1.486 -0.140 0.00 0.00 +0.044 A ATOM 5 C LIG 1 -3.778 0.664 -0.429 0.00 0.00 +0.080 A ATOM 6 N LIG 1 -3.675 -0.662 -0.529 0.00 0.00 -0.227 NA ATOM 7 C LIG 1 -2.458 -1.205 -0.360 0.00 0.00 +0.162 A ATOM 8 N LIG 1 -1.349 -0.506 -0.067 0.00 0.00 -0.212 NA ATOM 9 C LIG 1 -1.460 0.824 0.063 0.00 0.00 +0.131 A ATOM 10 C LIG 1 -5.026 1.242 -0.623 0.00 0.00 +0.078 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -2.337 -2.672 -0.496 0.00 0.00 +0.019 A ATOM 12 C LIG 1 -3.473 -3.496 -0.622 0.00 0.00 +0.011 A ATOM 13 C LIG 1 -3.362 -4.885 -0.749 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -2.107 -5.485 -0.756 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -0.965 -4.699 -0.637 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -1.082 -3.311 -0.509 0.00 0.00 +0.011 A ENDBRANCH 7 11 BRANCH 1 18 ATOM 17 C LIG 1 -7.561 2.433 -1.015 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -6.433 3.248 -0.731 0.00 0.00 -0.491 OA ENDBRANCH 1 18 BRANCH 2 19 ATOM 19 O LIG 1 -4.392 4.808 -0.234 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 -3.289 5.692 -0.091 0.00 0.00 +0.277 C ENDBRANCH 2 19 BRANCH 9 21 ATOM 21 N LIG 1 -0.325 1.584 0.396 0.00 0.00 -0.326 N ATOM 22 H LIG 1 -0.549 2.157 1.207 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.998 0.961 0.560 0.00 0.00 +0.074 C ATOM 24 C LIG 1 1.084 0.017 1.766 0.00 0.00 +0.037 C ATOM 25 C LIG 1 2.093 -1.112 1.538 0.00 0.00 +0.086 C ATOM 26 N LIG 1 3.281 -0.593 0.860 0.00 0.00 -0.298 NA ATOM 27 C LIG 1 2.979 -0.155 -0.517 0.00 0.00 +0.086 C ATOM 28 C LIG 1 1.538 0.333 -0.722 0.00 0.00 +0.037 C BRANCH 26 29 ATOM 29 C LIG 1 4.384 -1.567 0.893 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 C LIG 1 5.705 -0.994 0.425 0.00 0.00 -0.033 A ATOM 31 C LIG 1 6.291 0.086 1.103 0.00 0.00 +0.005 A ATOM 32 C LIG 1 7.513 0.612 0.680 0.00 0.00 +0.000 A ATOM 33 C LIG 1 8.163 0.062 -0.424 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.592 -1.011 -1.105 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.370 -1.538 -0.684 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 21 23 ENDBRANCH 9 21 TORSDOF 7