REMARK Name = BDB052434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.236 0.211 -0.065 0.00 0.00 +0.193 C ENDROOT BRANCH 1 3 ATOM 2 N LIG 1 3.404 -0.080 1.029 0.00 0.00 -0.201 NA ATOM 3 C LIG 1 2.273 0.642 1.028 0.00 0.00 +0.256 C ATOM 4 O LIG 1 2.093 1.578 1.806 0.00 0.00 -0.272 OA BRANCH 2 5 ATOM 5 C LIG 1 3.177 -1.476 1.405 0.00 0.00 +0.213 C ATOM 6 C LIG 1 4.522 -2.253 0.983 0.00 0.00 +0.029 C BRANCH 5 7 ATOM 7 C LIG 1 2.899 -1.614 2.920 0.00 0.00 +0.331 C ATOM 8 O LIG 1 3.671 -2.105 3.754 0.00 0.00 -0.249 OA BRANCH 7 10 ATOM 9 C LIG 1 1.167 -1.301 4.544 0.00 0.00 +0.256 C ATOM 10 O LIG 1 1.630 -1.153 3.199 0.00 0.00 -0.443 OA ENDBRANCH 7 10 ENDBRANCH 5 7 ENDBRANCH 2 5 ENDBRANCH 1 3 BRANCH 1 11 ATOM 11 N LIG 1 0.128 -0.484 0.621 0.00 0.00 -0.203 NA ATOM 12 C LIG 1 -0.467 -1.468 -0.094 0.00 0.00 +0.255 C ATOM 13 O LIG 1 0.032 -2.061 -1.052 0.00 0.00 -0.272 OA BRANCH 12 14 ATOM 14 C LIG 1 -1.873 -1.831 0.499 0.00 0.00 +0.192 C ATOM 15 C LIG 1 -2.198 -3.396 0.583 0.00 0.00 +0.027 C BRANCH 14 16 ATOM 16 N LIG 1 -3.029 -1.111 -0.031 0.00 0.00 -0.204 NA ATOM 17 C LIG 1 -3.242 -1.222 -1.326 0.00 0.00 +0.242 C ATOM 18 O LIG 1 -2.753 -1.850 -2.252 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 -4.470 -0.433 -1.875 0.00 0.00 +0.096 C ENDBRANCH 14 16 ENDBRANCH 12 14 ENDBRANCH 1 11 BRANCH 1 20 ATOM 20 C LIG 1 0.692 1.408 -0.742 0.00 0.00 +0.027 C BRANCH 20 21 ATOM 21 C LIG 1 0.052 2.604 -1.472 0.00 0.00 +0.028 C BRANCH 21 22 ATOM 22 C LIG 1 -0.674 3.736 -2.225 0.00 0.00 +0.129 C BRANCH 22 23 ATOM 23 N LIG 1 -1.368 4.669 -2.898 0.00 0.00 -0.234 NA ATOM 24 C LIG 1 -2.597 4.387 -3.189 0.00 0.00 +0.284 C ATOM 25 N LIG 1 -3.356 5.399 -3.928 0.00 0.00 -0.104 NA ATOM 26 N LIG 1 -3.281 3.146 -2.836 0.00 0.00 -0.104 NA ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 11