REMARK Name = BDB022741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.616 -0.343 -1.385 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -1.580 0.004 0.003 0.00 0.00 +0.080 A ATOM 3 C LIG 1 -0.565 0.940 0.082 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -0.029 1.053 -1.166 0.00 0.00 -0.266 N ATOM 5 N LIG 1 -0.674 0.312 -2.086 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -2.384 -0.420 1.140 0.00 0.00 +0.248 C ATOM 7 N LIG 1 -2.967 -1.655 1.030 0.00 0.00 -0.306 N ATOM 8 H LIG 1 -2.851 -2.184 0.169 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -2.515 0.280 2.142 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 -3.956 -2.128 1.970 0.00 0.00 +0.160 C BRANCH 10 11 ATOM 11 C LIG 1 -5.344 -1.672 1.575 0.00 0.00 +0.065 A ATOM 12 N LIG 1 -5.988 -2.376 0.611 0.00 0.00 -0.239 NA ATOM 13 C LIG 1 -7.197 -1.917 0.249 0.00 0.00 +0.225 A ATOM 14 N LIG 1 -7.813 -0.833 0.738 0.00 0.00 -0.201 NA ATOM 15 C LIG 1 -7.128 -0.160 1.681 0.00 0.00 +0.218 A ATOM 16 C LIG 1 -5.886 -0.535 2.141 0.00 0.00 +0.092 A BRANCH 15 17 ATOM 17 O LIG 1 -7.666 0.981 2.243 0.00 0.00 -0.480 OA ATOM 18 C LIG 1 -8.936 1.328 1.706 0.00 0.00 +0.279 C ENDBRANCH 15 17 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 19 ATOM 19 C LIG 1 -2.579 -1.232 -2.114 0.00 0.00 +0.217 C BRANCH 19 21 ATOM 20 C LIG 1 -3.587 -3.363 -2.228 0.00 0.00 +0.194 C ATOM 21 O LIG 1 -2.696 -2.525 -1.499 0.00 0.00 -0.377 OA ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 4 22 ATOM 22 C LIG 1 1.060 1.934 -1.574 0.00 0.00 +0.178 C BRANCH 22 23 ATOM 23 C LIG 1 2.346 1.627 -0.844 0.00 0.00 -0.026 A ATOM 24 C LIG 1 2.997 0.399 -1.028 0.00 0.00 +0.006 A ATOM 25 C LIG 1 4.180 0.111 -0.341 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.739 1.046 0.542 0.00 0.00 -0.028 A ATOM 27 C LIG 1 4.096 2.280 0.716 0.00 0.00 +0.006 A ATOM 28 C LIG 1 2.911 2.568 0.031 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 6.014 0.723 1.292 0.00 0.00 +0.160 C BRANCH 29 30 ATOM 30 N LIG 1 7.198 0.764 0.437 0.00 0.00 -0.311 N ATOM 31 C LIG 1 7.702 -0.439 -0.064 0.00 0.00 +0.252 A ATOM 32 O LIG 1 7.234 -1.552 0.162 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 8.909 -0.330 -0.930 0.00 0.00 +0.070 A ATOM 34 C LIG 1 9.452 0.868 -1.183 0.00 0.00 +0.007 A ATOM 35 C LIG 1 8.865 2.068 -0.639 0.00 0.00 +0.018 A ATOM 36 C LIG 1 7.778 1.989 0.137 0.00 0.00 +0.089 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 10