REMARK Name = BDB036492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.160 1.284 -1.074 0.00 0.00 +0.142 A ATOM 2 C LIG 1 -1.757 0.264 -0.283 0.00 0.00 +0.078 A ATOM 3 C LIG 1 -1.012 -0.868 0.078 0.00 0.00 +0.076 A ATOM 4 C LIG 1 0.298 -0.933 -0.387 0.00 0.00 +0.171 A ATOM 5 C LIG 1 0.905 0.034 -1.164 0.00 0.00 +0.068 A ATOM 6 C LIG 1 2.216 -0.472 -1.373 0.00 0.00 +0.188 A ATOM 7 N LIG 1 2.383 -1.652 -0.770 0.00 0.00 -0.061 NA ATOM 8 O LIG 1 1.181 -1.938 -0.149 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 0.169 1.179 -1.520 0.00 0.00 +0.062 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -1.505 3.335 -2.255 0.00 0.00 +0.277 C ATOM 11 O LIG 1 -1.984 2.358 -1.339 0.00 0.00 -0.493 OA ENDBRANCH 1 11 BRANCH 2 12 ATOM 12 N LIG 1 -3.109 0.440 0.118 0.00 0.00 -0.297 N ATOM 13 H LIG 1 -3.404 1.394 -0.096 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 -4.042 -0.505 0.403 0.00 0.00 +0.122 A ATOM 15 N LIG 1 -5.253 -0.186 0.988 0.00 0.00 -0.248 N ATOM 16 N LIG 1 -6.075 -1.249 1.129 0.00 0.00 -0.175 NA ATOM 17 C LIG 1 -5.369 -2.277 0.651 0.00 0.00 +0.062 A ATOM 18 C LIG 1 -5.950 -3.639 0.636 0.00 0.00 +0.067 C ATOM 19 C LIG 1 -4.101 -1.865 0.188 0.00 0.00 +0.068 A BRANCH 15 20 ATOM 20 C LIG 1 -5.705 1.125 1.448 0.00 0.00 +0.103 C ATOM 21 C LIG 1 -6.676 1.744 0.444 0.00 0.00 +0.032 C ATOM 22 C LIG 1 -6.317 1.072 2.850 0.00 0.00 +0.032 C ENDBRANCH 15 20 ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 6 23 ATOM 23 N LIG 1 3.199 0.187 -2.097 0.00 0.00 -0.196 N ATOM 24 H LIG 1 3.068 1.160 -2.352 0.00 0.00 +0.175 HD BRANCH 23 25 ATOM 25 S LIG 1 4.810 -0.276 -2.129 0.00 0.00 +0.081 S ATOM 26 O LIG 1 5.519 0.835 -2.737 0.00 0.00 -0.150 OA ATOM 27 O LIG 1 4.860 -1.590 -2.732 0.00 0.00 -0.150 OA BRANCH 25 28 ATOM 28 C LIG 1 5.296 -0.323 -0.428 0.00 0.00 +0.191 A ATOM 29 C LIG 1 5.004 0.775 0.396 0.00 0.00 +0.150 A ATOM 30 C LIG 1 5.322 0.740 1.759 0.00 0.00 +0.048 A ATOM 31 C LIG 1 5.986 -0.362 2.291 0.00 0.00 +0.007 A ATOM 32 C LIG 1 6.327 -1.431 1.465 0.00 0.00 +0.048 A ATOM 33 C LIG 1 5.970 -1.422 0.110 0.00 0.00 +0.150 A BRANCH 29 34 ATOM 34 O LIG 1 4.354 1.877 -0.101 0.00 0.00 -0.493 OA ATOM 35 C LIG 1 5.231 3.008 -0.142 0.00 0.00 +0.277 C ENDBRANCH 29 34 BRANCH 33 36 ATOM 36 O LIG 1 6.407 -2.454 -0.673 0.00 0.00 -0.493 OA ATOM 37 C LIG 1 5.651 -3.643 -0.435 0.00 0.00 +0.277 C ENDBRANCH 33 36 ENDBRANCH 25 28 ENDBRANCH 23 25 ENDBRANCH 6 23 TORSDOF 9