REMARK Name = BDB003439 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.542 0.858 0.341 0.00 0.00 +0.154 C ATOM 2 N LIG 1 5.125 0.558 0.166 0.00 0.00 -0.290 N ATOM 3 C LIG 1 4.645 -0.581 0.849 0.00 0.00 +0.280 A ATOM 4 O LIG 1 5.325 -1.312 1.563 0.00 0.00 -0.265 OA ATOM 5 C LIG 1 3.262 -0.816 0.635 0.00 0.00 +0.149 A ATOM 6 C LIG 1 2.476 -0.030 -0.145 0.00 0.00 +0.165 A ATOM 7 N LIG 1 1.192 -0.457 -0.194 0.00 0.00 -0.204 NA ATOM 8 C LIG 1 1.193 -1.527 0.572 0.00 0.00 +0.169 A ATOM 9 N LIG 1 2.991 1.053 -0.778 0.00 0.00 -0.318 N ATOM 10 H LIG 1 2.370 1.611 -1.351 0.00 0.00 +0.169 HD ATOM 11 N LIG 1 2.429 -1.790 1.101 0.00 0.00 -0.327 N ATOM 12 H LIG 1 2.667 -2.558 1.714 0.00 0.00 +0.168 HD ATOM 13 C LIG 1 4.321 1.390 -0.652 0.00 0.00 +0.162 A ATOM 14 S LIG 1 4.840 2.755 -1.485 0.00 0.00 -0.013 S ENDROOT BRANCH 8 15 ATOM 15 S LIG 1 -0.132 -2.562 0.947 0.00 0.00 -0.087 S BRANCH 15 16 ATOM 16 C LIG 1 -1.481 -1.793 -0.011 0.00 0.00 +0.092 C BRANCH 16 17 ATOM 17 C LIG 1 -2.036 -0.539 0.681 0.00 0.00 +0.095 C BRANCH 17 18 ATOM 18 N LIG 1 -3.170 0.054 -0.047 0.00 0.00 -0.302 NA ATOM 19 C LIG 1 -3.568 1.342 0.527 0.00 0.00 +0.084 C ATOM 20 C LIG 1 -4.918 1.597 -0.120 0.00 0.00 +0.017 C ATOM 21 C LIG 1 -5.483 0.212 -0.412 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -4.385 -0.763 -0.010 0.00 0.00 +0.084 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 8 15 TORSDOF 4