REMARK Name = BDB060908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.619 1.612 -0.440 0.00 0.00 +0.112 A ATOM 2 C LIG 1 0.406 0.308 -0.871 0.00 0.00 +0.131 A ATOM 3 N LIG 1 1.560 -0.367 -0.497 0.00 0.00 -0.287 N ATOM 4 C LIG 1 2.319 0.518 0.259 0.00 0.00 +0.140 A ATOM 5 C LIG 1 3.541 0.035 0.809 0.00 0.00 +0.055 A ATOM 6 C LIG 1 3.964 -1.229 0.565 0.00 0.00 -0.008 A ATOM 7 C LIG 1 3.143 -2.109 -0.279 0.00 0.00 +0.027 A ATOM 8 C LIG 1 1.980 -1.665 -0.782 0.00 0.00 +0.095 A ATOM 9 N LIG 1 1.766 1.709 0.317 0.00 0.00 -0.226 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 5.191 -1.721 1.109 0.00 0.00 +0.047 A ATOM 11 C LIG 1 6.263 -2.215 0.401 0.00 0.00 +0.142 A ATOM 12 C LIG 1 6.566 -2.411 -1.030 0.00 0.00 +0.090 C ATOM 13 O LIG 1 7.239 -2.585 1.274 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 6.827 -2.332 2.568 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 5.596 -1.813 2.467 0.00 0.00 +0.088 A ATOM 16 C LIG 1 4.851 -1.433 3.690 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 1 20 ATOM 17 C LIG 1 -1.944 4.971 -1.028 0.00 0.00 +0.120 A ATOM 18 C LIG 1 -1.587 4.162 -2.110 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -0.741 3.063 -1.932 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -0.253 2.751 -0.659 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -0.595 3.575 0.419 0.00 0.00 +0.014 A ATOM 22 C LIG 1 -1.441 4.676 0.239 0.00 0.00 +0.046 A BRANCH 17 24 ATOM 23 C LIG 1 -3.130 6.891 -0.284 0.00 0.00 +0.277 C ATOM 24 O LIG 1 -2.778 6.008 -1.342 0.00 0.00 -0.495 OA ENDBRANCH 17 24 ENDBRANCH 1 20 BRANCH 2 25 ATOM 25 N LIG 1 -0.605 -0.301 -1.579 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -1.035 0.338 -2.251 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.733 -0.932 -0.840 0.00 0.00 +0.034 C ATOM 28 C LIG 1 -2.602 -1.674 -1.892 0.00 0.00 +0.029 C ATOM 29 C LIG 1 -3.822 -2.335 -1.229 0.00 0.00 -0.008 C ATOM 30 C LIG 1 -3.339 -3.342 -0.174 0.00 0.00 +0.007 C ATOM 31 C LIG 1 -2.496 -2.623 0.891 0.00 0.00 -0.008 C ATOM 32 C LIG 1 -3.351 -1.538 1.566 0.00 0.00 +0.007 C ATOM 33 C LIG 1 -3.838 -0.523 0.519 0.00 0.00 -0.008 C ATOM 34 C LIG 1 -4.672 -1.252 -0.546 0.00 0.00 +0.007 C ATOM 35 C LIG 1 -1.278 -1.966 0.215 0.00 0.00 +0.029 C ATOM 36 C LIG 1 -2.619 0.136 -0.151 0.00 0.00 +0.029 C ENDBRANCH 25 27 ENDBRANCH 2 25 TORSDOF 5