REMARK Name = BDB060539 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.588 -2.750 -0.138 0.00 0.00 +0.082 A ATOM 2 C LIG 1 2.180 -2.685 -0.386 0.00 0.00 +0.149 A ATOM 3 N LIG 1 1.689 -3.884 -0.729 0.00 0.00 -0.169 NA ATOM 4 N LIG 1 2.729 -4.715 -0.604 0.00 0.00 -0.282 N ATOM 5 H LIG 1 2.582 -5.702 -0.791 0.00 0.00 +0.188 HD ATOM 6 C LIG 1 3.884 -4.089 -0.249 0.00 0.00 +0.129 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 1.226 -1.432 -0.279 0.00 0.00 +0.161 A ATOM 8 N LIG 1 1.557 -0.229 0.288 0.00 0.00 -0.342 N ATOM 9 H LIG 1 2.411 -0.026 0.780 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 0.473 0.604 0.201 0.00 0.00 +0.112 A ATOM 11 C LIG 1 -0.508 -0.145 -0.410 0.00 0.00 +0.089 A ATOM 12 N LIG 1 -0.029 -1.407 -0.684 0.00 0.00 -0.226 NA BRANCH 11 13 ATOM 13 C LIG 1 -1.866 0.273 -0.723 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -2.318 1.580 -0.502 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -3.634 1.945 -0.815 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -4.531 1.012 -1.351 0.00 0.00 -0.033 A ATOM 17 C LIG 1 -4.074 -0.291 -1.585 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -2.760 -0.655 -1.273 0.00 0.00 +0.010 A BRANCH 16 19 ATOM 19 C LIG 1 -5.955 1.402 -1.690 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 N LIG 1 -6.955 1.255 -0.629 0.00 0.00 -0.294 NA ATOM 21 C LIG 1 -6.790 2.144 0.530 0.00 0.00 +0.113 C ATOM 22 C LIG 1 -6.431 1.392 1.821 0.00 0.00 +0.175 C ATOM 23 O LIG 1 -7.414 0.413 2.188 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 -8.070 -0.179 1.056 0.00 0.00 +0.175 C ATOM 25 C LIG 1 -7.222 -0.134 -0.225 0.00 0.00 +0.113 C ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 11 13 ENDBRANCH 2 7 BRANCH 1 28 ATOM 26 O LIG 1 6.366 -2.954 0.740 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 5.821 -1.900 0.437 0.00 0.00 +0.248 C ATOM 28 N LIG 1 4.491 -1.720 0.100 0.00 0.00 -0.278 N ATOM 29 H LIG 1 4.155 -0.783 -0.045 0.00 0.00 +0.155 HD BRANCH 27 30 ATOM 30 C LIG 1 6.633 -0.652 0.476 0.00 0.00 +0.037 A ATOM 31 C LIG 1 7.619 -0.528 1.465 0.00 0.00 +0.015 A ATOM 32 C LIG 1 8.409 0.623 1.536 0.00 0.00 +0.033 A ATOM 33 C LIG 1 8.216 1.649 0.602 0.00 0.00 +0.126 A ATOM 34 C LIG 1 7.244 1.526 -0.403 0.00 0.00 +0.033 A ATOM 35 C LIG 1 6.456 0.371 -0.467 0.00 0.00 +0.015 A BRANCH 33 36 ATOM 36 N LIG 1 9.043 2.862 0.669 0.00 0.00 +0.056 N ATOM 37 O LIG 1 8.814 3.759 -0.154 0.00 0.00 -0.126 OA ATOM 38 O LIG 1 9.912 2.918 1.550 0.00 0.00 -0.126 OA ENDBRANCH 33 36 ENDBRANCH 27 30 ENDBRANCH 1 28 TORSDOF 7