REMARK Name = BDB046791 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.567 -0.715 -1.320 0.00 0.00 +0.153 A ATOM 2 C LIG 1 -0.943 0.502 -0.695 0.00 0.00 +0.092 A ATOM 3 C LIG 1 -1.372 0.519 0.633 0.00 0.00 +0.056 A ATOM 4 C LIG 1 -1.424 -0.692 1.290 0.00 0.00 +0.072 A ATOM 5 N LIG 1 -1.808 -0.988 2.604 0.00 0.00 -0.295 N ATOM 6 C LIG 1 -1.710 -2.380 2.814 0.00 0.00 +0.330 A ATOM 7 N LIG 1 -1.244 -2.926 1.597 0.00 0.00 -0.295 N ATOM 8 C LIG 1 -1.010 -4.318 1.344 0.00 0.00 +0.154 C ATOM 9 O LIG 1 -1.974 -2.989 3.839 0.00 0.00 -0.246 OA ATOM 10 C LIG 1 -2.265 -0.026 3.566 0.00 0.00 +0.154 C ATOM 11 C LIG 1 -1.074 -1.893 0.667 0.00 0.00 +0.073 A ATOM 12 C LIG 1 -0.648 -1.939 -0.643 0.00 0.00 +0.076 A ENDROOT BRANCH 2 13 ATOM 13 N LIG 1 -0.914 1.726 -1.448 0.00 0.00 -0.211 N ATOM 14 H LIG 1 -0.242 1.677 -2.217 0.00 0.00 +0.174 HD BRANCH 13 15 ATOM 15 S LIG 1 -2.396 2.180 -2.163 0.00 0.00 +0.091 S ATOM 16 O LIG 1 -2.073 3.254 -3.084 0.00 0.00 -0.148 OA ATOM 17 O LIG 1 -3.109 1.004 -2.612 0.00 0.00 -0.148 OA BRANCH 15 18 ATOM 18 C LIG 1 -3.433 2.929 -0.971 0.00 0.00 +0.215 A ATOM 19 N LIG 1 -3.903 2.284 0.162 0.00 0.00 -0.213 NA ATOM 20 C LIG 1 -4.651 3.166 0.796 0.00 0.00 +0.109 A ATOM 21 C LIG 1 -5.388 2.927 2.063 0.00 0.00 +0.086 C ATOM 22 N LIG 1 -4.670 4.362 0.117 0.00 0.00 -0.336 N ATOM 23 C LIG 1 -5.394 5.550 0.499 0.00 0.00 +0.150 C ATOM 24 C LIG 1 -3.893 4.232 -0.998 0.00 0.00 +0.136 A ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 2 13 BRANCH 1 25 ATOM 25 O LIG 1 -0.159 -0.654 -2.638 0.00 0.00 -0.454 OA BRANCH 25 28 ATOM 26 C LIG 1 3.395 -1.681 -2.538 0.00 0.00 +0.124 A ATOM 27 C LIG 1 2.196 -1.081 -2.152 0.00 0.00 +0.091 A ATOM 28 C LIG 1 1.053 -1.236 -2.946 0.00 0.00 +0.132 A ATOM 29 C LIG 1 1.113 -1.946 -4.144 0.00 0.00 +0.046 A ATOM 30 C LIG 1 2.309 -2.544 -4.533 0.00 0.00 +0.007 A ATOM 31 C LIG 1 3.442 -2.415 -3.728 0.00 0.00 +0.046 A BRANCH 26 32 ATOM 32 O LIG 1 4.579 -1.628 -1.853 0.00 0.00 -0.492 OA BRANCH 32 33 ATOM 33 C LIG 1 4.596 -0.862 -0.645 0.00 0.00 +0.231 C BRANCH 33 34 ATOM 34 C LIG 1 6.001 -0.948 -0.058 0.00 0.00 +0.069 C BRANCH 34 35 ATOM 35 C LIG 1 6.161 -0.072 1.179 0.00 0.00 +0.163 C BRANCH 35 37 ATOM 36 C LIG 1 5.452 -1.505 2.939 0.00 0.00 +0.193 C ATOM 37 O LIG 1 5.172 -0.343 2.169 0.00 0.00 -0.383 OA ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 10