REMARK Name = BDB062709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.461 0.778 -1.382 0.00 0.00 -0.293 N ATOM 2 C LIG 1 0.511 1.367 -0.551 0.00 0.00 +0.247 C ATOM 3 O LIG 1 0.507 2.564 -0.277 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.551 0.474 0.006 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.387 0.970 1.016 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.405 0.174 1.556 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.592 -1.118 1.047 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -1.775 -1.621 0.023 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -0.727 -0.832 -0.488 0.00 0.00 -0.025 A ATOM 10 C LIG 1 0.178 -1.314 -1.593 0.00 0.00 +0.055 C ATOM 11 C LIG 1 1.553 -0.671 -1.470 0.00 0.00 +0.113 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -2.057 -2.957 -0.487 0.00 0.00 +0.069 A ATOM 13 N LIG 1 -2.787 -3.227 -1.619 0.00 0.00 -0.267 N ATOM 14 C LIG 1 -3.419 -2.277 -2.505 0.00 0.00 +0.173 C ATOM 15 N LIG 1 -2.884 -4.543 -1.895 0.00 0.00 -0.176 NA ATOM 16 C LIG 1 -2.232 -5.137 -0.890 0.00 0.00 +0.061 A ATOM 17 C LIG 1 -2.135 -6.615 -0.833 0.00 0.00 +0.067 C ATOM 18 C LIG 1 -1.703 -4.193 0.017 0.00 0.00 +0.052 A ENDBRANCH 8 12 BRANCH 1 19 ATOM 19 C LIG 1 2.604 1.572 -1.821 0.00 0.00 +0.143 C BRANCH 19 24 ATOM 20 C LIG 1 6.047 0.342 -0.721 0.00 0.00 +0.124 A ATOM 21 C LIG 1 6.110 0.850 0.582 0.00 0.00 +0.091 A ATOM 22 C LIG 1 5.054 1.595 1.107 0.00 0.00 +0.124 A ATOM 23 C LIG 1 3.926 1.829 0.318 0.00 0.00 +0.051 A ATOM 24 C LIG 1 3.842 1.327 -0.989 0.00 0.00 -0.023 A ATOM 25 C LIG 1 4.915 0.580 -1.501 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 7.168 -0.867 -2.438 0.00 0.00 +0.277 C ATOM 27 O LIG 1 7.152 -0.370 -1.105 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 5.000 2.141 2.360 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 6.130 1.941 3.199 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 C LIG 1 -3.312 0.718 2.640 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 -4.338 1.571 2.082 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -4.253 2.965 2.073 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -3.325 3.680 2.599 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -3.523 4.666 2.428 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -5.392 3.375 1.369 0.00 0.00 -0.320 N ATOM 36 C LIG 1 -5.682 4.736 0.995 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -6.103 2.258 0.947 0.00 0.00 +0.106 A ATOM 38 C LIG 1 -5.467 1.163 1.385 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 7