REMARK Name = BDB046490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.364 -1.232 0.785 0.00 0.00 -0.304 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.028 0.007 0.205 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.202 0.666 0.622 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -1.603 1.878 0.050 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -0.831 2.465 -0.948 0.00 0.00 -0.016 A ATOM 6 C LIG 1 0.346 1.851 -1.365 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.746 0.637 -0.790 0.00 0.00 +0.024 A BRANCH 5 8 ATOM 8 C LIG 1 -1.246 3.697 -1.535 0.00 0.00 +0.008 C ATOM 9 C LIG 1 -1.639 4.830 -2.050 0.00 0.00 +0.111 C ATOM 10 C LIG 1 -2.873 5.482 -1.553 0.00 0.00 +0.277 C ATOM 11 O LIG 1 -3.506 4.989 -0.617 0.00 0.00 -0.268 OA ATOM 12 N LIG 1 -3.190 6.615 -2.173 0.00 0.00 -0.122 NA ATOM 13 C LIG 1 -2.609 6.911 -3.346 0.00 0.00 +0.353 C ATOM 14 O LIG 1 -3.235 7.512 -4.218 0.00 0.00 -0.248 OA ATOM 15 N LIG 1 -1.292 6.677 -3.487 0.00 0.00 -0.122 NA ATOM 16 C LIG 1 -0.801 5.518 -3.058 0.00 0.00 +0.277 C ATOM 17 O LIG 1 0.276 5.032 -3.411 0.00 0.00 -0.268 OA ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 1.483 -1.988 0.222 0.00 0.00 +0.123 C BRANCH 18 19 ATOM 19 C LIG 1 2.668 -2.780 -0.368 0.00 0.00 +0.164 C BRANCH 19 20 ATOM 20 O LIG 1 3.691 -3.462 -0.872 0.00 0.00 -0.347 OA BRANCH 20 21 ATOM 21 C LIG 1 4.794 -3.049 -0.255 0.00 0.00 +0.167 C BRANCH 21 25 ATOM 22 C LIG 1 8.329 -1.798 1.727 0.00 0.00 +0.122 A ATOM 23 C LIG 1 7.946 -3.145 1.734 0.00 0.00 +0.046 A ATOM 24 C LIG 1 6.782 -3.557 1.077 0.00 0.00 +0.010 A ATOM 25 C LIG 1 5.988 -2.624 0.411 0.00 0.00 -0.009 A ATOM 26 C LIG 1 6.357 -1.277 0.404 0.00 0.00 +0.010 A ATOM 27 C LIG 1 7.523 -0.864 1.060 0.00 0.00 +0.046 A BRANCH 22 29 ATOM 28 C LIG 1 10.113 -0.290 2.138 0.00 0.00 +0.252 C ATOM 29 O LIG 1 9.476 -1.510 2.433 0.00 0.00 -0.473 OA ENDBRANCH 22 29 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 1 30 ATOM 30 C LIG 1 -0.656 -2.067 1.420 0.00 0.00 +0.123 C BRANCH 30 31 ATOM 31 C LIG 1 -1.795 -2.903 2.038 0.00 0.00 +0.164 C BRANCH 31 32 ATOM 32 O LIG 1 -2.820 -3.584 2.538 0.00 0.00 -0.347 OA BRANCH 32 33 ATOM 33 C LIG 1 -3.917 -3.114 1.951 0.00 0.00 +0.167 C BRANCH 33 34 ATOM 34 C LIG 1 -5.084 -2.594 1.307 0.00 0.00 -0.009 A ATOM 35 C LIG 1 -4.957 -1.597 0.339 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -6.096 -1.075 -0.279 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.359 -1.553 0.065 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.487 -2.554 1.026 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.349 -3.075 1.650 0.00 0.00 +0.006 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 13