REMARK Name = BDB038325 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK 1 -1.425 0.344 -1.140 0.00 0.00 +0.240 C ATOM 2 C UNK 1 -1.030 1.780 -0.759 0.00 0.00 +0.193 C ATOM 3 C UNK 1 -0.286 1.542 0.540 0.00 0.00 +0.177 C ATOM 4 C UNK 1 0.499 0.276 0.202 0.00 0.00 +0.162 C ATOM 5 O UNK 1 -0.341 -0.493 -0.679 0.00 0.00 -0.349 OA ENDROOT BRANCH 1 10 ATOM 6 C UNK 1 -5.585 -0.368 0.812 0.00 0.00 +0.123 C ATOM 7 C UNK 1 -4.948 -0.476 -0.556 0.00 0.00 +0.212 C ATOM 8 N UNK 1 -4.236 -1.801 -0.602 0.00 0.00 -0.262 NA ATOM 9 C UNK 1 -2.985 -1.448 -0.566 0.00 0.00 +0.182 C ATOM 10 N UNK 1 -2.655 -0.121 -0.513 0.00 0.00 -0.269 N ATOM 11 C UNK 1 -3.889 0.612 -0.759 0.00 0.00 +0.228 C ATOM 12 N UNK 1 -4.078 1.810 0.034 0.00 0.00 -0.247 NA ATOM 13 C UNK 1 -4.842 1.775 1.062 0.00 0.00 +0.219 C ATOM 14 N UNK 1 -5.519 0.698 1.539 0.00 0.00 -0.224 NA BRANCH 6 15 ATOM 15 N UNK 1 -6.255 -1.471 1.282 0.00 0.00 -0.345 N ATOM 16 H UNK 1 -6.329 -1.486 2.293 0.00 0.00 +0.143 HD ATOM 17 H UNK 1 -5.873 -2.337 0.899 0.00 0.00 +0.143 HD ENDBRANCH 6 15 ENDBRANCH 1 10 BRANCH 2 18 ATOM 18 O UNK 1 -0.139 2.348 -1.740 0.00 0.00 -0.385 OA ATOM 19 H UNK 1 0.534 2.854 -1.241 0.00 0.00 +0.210 HD ENDBRANCH 2 18 BRANCH 3 20 ATOM 20 O UNK 1 0.561 2.639 0.871 0.00 0.00 -0.386 OA ATOM 21 H UNK 1 -0.016 3.373 1.151 0.00 0.00 +0.210 HD ENDBRANCH 3 20 BRANCH 4 22 ATOM 22 C UNK 1 0.857 -0.515 1.462 0.00 0.00 +0.103 C BRANCH 22 23 ATOM 23 S UNK 1 1.733 -2.106 1.187 0.00 0.00 -0.158 S BRANCH 23 24 ATOM 24 C UNK 1 3.152 -1.579 0.166 0.00 0.00 +0.071 C BRANCH 24 25 ATOM 25 C UNK 1 4.093 -0.641 0.925 0.00 0.00 +0.040 C BRANCH 25 26 ATOM 26 C UNK 1 5.353 -0.249 0.142 0.00 0.00 +0.161 C BRANCH 26 27 ATOM 27 N UNK 1 5.007 0.513 -1.078 0.00 0.00 -0.318 NA ATOM 28 H UNK 1 5.877 0.833 -1.512 0.00 0.00 +0.119 HD ATOM 29 H UNK 1 4.641 -0.147 -1.773 0.00 0.00 +0.119 HD ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 C UNK 1 6.215 -1.473 -0.214 0.00 0.00 +0.322 C ATOM 31 O UNK 1 6.367 -1.893 -1.353 0.00 0.00 -0.249 OA BRANCH 30 32 ATOM 32 O UNK 1 6.809 -2.051 0.854 0.00 0.00 -0.480 OA ATOM 33 H UNK 1 6.628 -1.617 1.708 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 12