REMARK Name = BDB064468 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.165 1.234 -0.150 0.00 0.00 +0.246 C ATOM 2 N LIG 1 0.226 1.672 -1.040 0.00 0.00 -0.282 N ATOM 3 H LIG 1 0.525 2.415 -1.660 0.00 0.00 +0.151 HD ATOM 4 O LIG 1 2.315 1.657 -0.156 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.165 1.286 -1.132 0.00 0.00 +0.279 C ATOM 6 C LIG 1 -1.663 1.511 -2.582 0.00 0.00 +0.260 C ATOM 7 O LIG 1 -0.964 2.004 -3.472 0.00 0.00 -0.271 OA ATOM 8 N LIG 1 -2.921 1.057 -2.898 0.00 0.00 -0.282 N ATOM 9 H LIG 1 -3.092 1.027 -3.896 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -3.839 0.461 -2.021 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -3.912 0.737 -0.645 0.00 0.00 +0.022 A ATOM 12 C LIG 1 -4.792 0.001 0.167 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -5.642 -0.951 -0.396 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -5.626 -1.167 -1.771 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -3.169 1.880 -0.030 0.00 0.00 +0.077 C ATOM 16 C LIG 1 -4.733 -0.460 -2.581 0.00 0.00 +0.024 A ATOM 17 N LIG 1 -1.921 2.141 -0.234 0.00 0.00 -0.251 NA BRANCH 15 18 ATOM 18 C LIG 1 -3.918 2.813 0.875 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -3.253 3.380 1.970 0.00 0.00 +0.010 A ATOM 20 C LIG 1 -3.927 4.255 2.823 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -5.262 4.575 2.582 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.923 4.030 1.481 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.253 3.155 0.624 0.00 0.00 +0.010 A ENDBRANCH 15 18 ENDBRANCH 2 5 BRANCH 1 25 ATOM 24 C LIG 1 1.181 -1.155 0.614 0.00 0.00 -0.021 A ATOM 25 C LIG 1 0.785 0.179 0.810 0.00 0.00 +0.041 A ATOM 26 C LIG 1 0.038 0.553 1.935 0.00 0.00 +0.013 A ATOM 27 C LIG 1 -0.344 -0.408 2.868 0.00 0.00 +0.001 A ATOM 28 C LIG 1 0.029 -1.738 2.684 0.00 0.00 +0.000 A ATOM 29 C LIG 1 0.786 -2.109 1.569 0.00 0.00 +0.005 A BRANCH 24 30 ATOM 30 C LIG 1 2.006 -1.596 -0.579 0.00 0.00 +0.120 C BRANCH 30 37 ATOM 31 C LIG 1 6.029 -3.970 -2.211 0.00 0.00 +0.039 C ATOM 32 C LIG 1 5.347 -3.361 -0.995 0.00 0.00 +0.130 C ATOM 33 O LIG 1 6.199 -2.317 -0.496 0.00 0.00 -0.371 OA ATOM 34 C LIG 1 5.608 -1.694 0.656 0.00 0.00 +0.130 C ATOM 35 C LIG 1 6.561 -0.605 1.130 0.00 0.00 +0.039 C ATOM 36 C LIG 1 4.221 -1.108 0.315 0.00 0.00 +0.116 C ATOM 37 N LIG 1 3.310 -2.164 -0.195 0.00 0.00 -0.293 NA ATOM 38 C LIG 1 3.956 -2.800 -1.364 0.00 0.00 +0.116 C ENDBRANCH 30 37 ENDBRANCH 24 30 ENDBRANCH 1 25 TORSDOF 5