REMARK Name = BDB036490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.130 -1.614 1.288 0.00 0.00 +0.142 A ATOM 2 C LIG 1 1.817 -0.544 0.650 0.00 0.00 +0.078 A ATOM 3 C LIG 1 1.111 0.608 0.267 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -0.253 0.631 0.542 0.00 0.00 +0.171 A ATOM 5 C LIG 1 -0.948 -0.389 1.161 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -2.284 0.092 1.213 0.00 0.00 +0.188 A ATOM 7 N LIG 1 -2.383 1.308 0.669 0.00 0.00 -0.061 NA ATOM 8 O LIG 1 -1.109 1.643 0.245 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 -0.250 -1.549 1.546 0.00 0.00 +0.062 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 1.339 -3.729 2.389 0.00 0.00 +0.277 C ATOM 11 O LIG 1 1.922 -2.699 1.600 0.00 0.00 -0.493 OA ENDBRANCH 1 11 BRANCH 2 12 ATOM 12 N LIG 1 3.219 -0.675 0.466 0.00 0.00 -0.297 N ATOM 13 H LIG 1 3.486 -1.661 0.465 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 4.161 0.264 0.229 0.00 0.00 +0.119 A ATOM 15 N LIG 1 4.068 1.568 0.631 0.00 0.00 -0.264 N ATOM 16 H LIG 1 3.318 2.000 1.156 0.00 0.00 +0.190 HD ATOM 17 N LIG 1 5.132 2.320 0.302 0.00 0.00 -0.177 NA ATOM 18 C LIG 1 5.968 1.453 -0.284 0.00 0.00 +0.067 A ATOM 19 C LIG 1 5.411 0.150 -0.332 0.00 0.00 +0.068 A BRANCH 18 20 ATOM 20 C LIG 1 7.307 1.917 -0.783 0.00 0.00 +0.033 C ATOM 21 C LIG 1 7.439 1.730 -2.296 0.00 0.00 +0.014 C ATOM 22 C LIG 1 8.454 1.214 -0.053 0.00 0.00 +0.014 C ENDBRANCH 18 20 ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 6 23 ATOM 23 N LIG 1 -3.349 -0.621 1.745 0.00 0.00 -0.196 N ATOM 24 H LIG 1 -3.241 -1.608 1.952 0.00 0.00 +0.175 HD BRANCH 23 25 ATOM 25 S LIG 1 -4.955 -0.169 1.581 0.00 0.00 +0.081 S ATOM 26 O LIG 1 -5.107 1.103 2.256 0.00 0.00 -0.150 OA ATOM 27 O LIG 1 -5.726 -1.321 2.011 0.00 0.00 -0.150 OA BRANCH 25 28 ATOM 28 C LIG 1 -5.200 -0.011 -0.164 0.00 0.00 +0.191 A ATOM 29 C LIG 1 -4.779 -1.048 -1.010 0.00 0.00 +0.150 A ATOM 30 C LIG 1 -4.904 -0.924 -2.398 0.00 0.00 +0.048 A ATOM 31 C LIG 1 -5.505 0.207 -2.945 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -5.974 1.216 -2.106 0.00 0.00 +0.048 A ATOM 33 C LIG 1 -5.809 1.119 -0.718 0.00 0.00 +0.150 A BRANCH 29 34 ATOM 34 O LIG 1 -4.188 -2.178 -0.499 0.00 0.00 -0.493 OA ATOM 35 C LIG 1 -5.043 -3.314 -0.657 0.00 0.00 +0.277 C ENDBRANCH 29 34 BRANCH 33 36 ATOM 36 O LIG 1 -6.366 2.092 0.063 0.00 0.00 -0.493 OA ATOM 37 C LIG 1 -5.605 3.301 0.010 0.00 0.00 +0.277 C ENDBRANCH 33 36 ENDBRANCH 25 28 ENDBRANCH 23 25 ENDBRANCH 6 23 TORSDOF 9