REMARK Name = BDB033573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.552 1.125 -0.885 0.00 0.00 +0.192 A ATOM 2 C LIG 1 -0.725 0.615 -0.549 0.00 0.00 +0.106 A ATOM 3 C LIG 1 -1.113 1.370 0.537 0.00 0.00 +0.173 A ATOM 4 C LIG 1 -2.327 1.221 1.202 0.00 0.00 +0.055 A ATOM 5 C LIG 1 -3.223 0.235 0.723 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -2.868 -0.551 -0.398 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -3.749 -1.623 -1.000 0.00 0.00 +0.039 C ATOM 8 C LIG 1 -3.245 -3.029 -0.670 0.00 0.00 +0.008 C ATOM 9 C LIG 1 -1.722 -3.183 -0.609 0.00 0.00 +0.041 C ATOM 10 C LIG 1 -0.950 -2.524 -1.758 0.00 0.00 +0.229 C ATOM 11 O LIG 1 -1.257 -1.160 -2.087 0.00 0.00 -0.491 OA ATOM 12 O LIG 1 -0.127 2.254 0.842 0.00 0.00 -0.353 OA ATOM 13 C LIG 1 -1.597 -0.382 -1.006 0.00 0.00 +0.138 A ATOM 14 N LIG 1 0.927 2.093 -0.043 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 15 ATOM 15 N LIG 1 1.319 0.653 -1.939 0.00 0.00 -0.196 N ATOM 16 H LIG 1 0.991 -0.154 -2.463 0.00 0.00 +0.175 HD BRANCH 15 17 ATOM 17 S LIG 1 2.922 1.048 -2.192 0.00 0.00 +0.082 S ATOM 18 O LIG 1 3.403 0.108 -3.190 0.00 0.00 -0.150 OA ATOM 19 O LIG 1 2.976 2.468 -2.457 0.00 0.00 -0.150 OA BRANCH 17 21 ATOM 20 C LIG 1 3.553 -0.641 -0.129 0.00 0.00 +0.154 A ATOM 21 C LIG 1 3.723 0.628 -0.687 0.00 0.00 +0.211 A ATOM 22 C LIG 1 4.546 1.519 -0.025 0.00 0.00 +0.246 A ATOM 23 N LIG 1 5.158 1.216 1.152 0.00 0.00 -0.216 NA ATOM 24 C LIG 1 4.938 0.003 1.704 0.00 0.00 +0.046 A ATOM 25 C LIG 1 5.598 -0.286 3.018 0.00 0.00 +0.066 C ATOM 26 C LIG 1 4.143 -0.953 1.094 0.00 0.00 +0.071 A BRANCH 20 28 ATOM 27 C LIG 1 3.543 -2.637 -1.288 0.00 0.00 +0.277 C ATOM 28 O LIG 1 2.753 -1.580 -0.731 0.00 0.00 -0.493 OA ENDBRANCH 20 28 BRANCH 22 29 ATOM 29 O LIG 1 4.839 2.734 -0.591 0.00 0.00 -0.478 OA ATOM 30 C LIG 1 5.461 3.655 0.297 0.00 0.00 +0.279 C ENDBRANCH 22 29 ENDBRANCH 17 21 ENDBRANCH 15 17 ENDBRANCH 1 15 BRANCH 5 31 ATOM 31 C LIG 1 -4.538 0.086 1.461 0.00 0.00 +0.179 C BRANCH 31 32 ATOM 32 N LIG 1 -5.460 1.168 1.142 0.00 0.00 -0.267 N ATOM 33 N LIG 1 -5.646 2.173 2.024 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 -6.542 2.960 1.422 0.00 0.00 +0.134 A ATOM 35 C LIG 1 -6.944 2.456 0.172 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -6.233 1.288 0.021 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 7