REMARK Name = BDB035986 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.050 2.059 -1.869 0.00 0.00 +0.203 C ATOM 2 O LIG 1 -0.776 1.752 -1.246 0.00 0.00 -0.485 OA ATOM 3 C LIG 1 -1.103 0.887 -0.215 0.00 0.00 +0.139 A ATOM 4 C LIG 1 -2.416 0.421 -0.261 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.909 -0.472 0.694 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -2.046 -0.895 1.732 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -0.738 -0.398 1.736 0.00 0.00 +0.173 A ATOM 8 O LIG 1 0.240 -0.688 2.635 0.00 0.00 -0.353 OA ATOM 9 N LIG 1 1.396 -0.001 2.296 0.00 0.00 -0.060 NA ATOM 10 C LIG 1 1.102 0.695 1.193 0.00 0.00 +0.192 A ATOM 11 C LIG 1 -0.235 0.480 0.794 0.00 0.00 +0.106 A ATOM 12 C LIG 1 -3.073 0.980 -1.472 0.00 0.00 +0.086 C ENDROOT BRANCH 10 13 ATOM 13 N LIG 1 1.986 1.517 0.508 0.00 0.00 -0.196 N ATOM 14 H LIG 1 1.715 1.850 -0.414 0.00 0.00 +0.175 HD BRANCH 13 15 ATOM 15 S LIG 1 3.636 1.554 0.778 0.00 0.00 +0.081 S ATOM 16 O LIG 1 4.204 2.286 -0.340 0.00 0.00 -0.150 OA ATOM 17 O LIG 1 3.832 2.030 2.132 0.00 0.00 -0.150 OA BRANCH 15 18 ATOM 18 C LIG 1 4.160 -0.128 0.606 0.00 0.00 +0.191 A ATOM 19 C LIG 1 4.976 -0.742 1.559 0.00 0.00 +0.150 A ATOM 20 C LIG 1 5.365 -2.078 1.394 0.00 0.00 +0.048 A ATOM 21 C LIG 1 4.917 -2.813 0.299 0.00 0.00 +0.007 A ATOM 22 C LIG 1 4.109 -2.205 -0.658 0.00 0.00 +0.048 A ATOM 23 C LIG 1 3.756 -0.858 -0.522 0.00 0.00 +0.150 A BRANCH 19 24 ATOM 24 O LIG 1 5.517 -0.046 2.605 0.00 0.00 -0.493 OA ATOM 25 C LIG 1 4.901 -0.409 3.842 0.00 0.00 +0.277 C ENDBRANCH 19 24 BRANCH 23 26 ATOM 26 O LIG 1 2.959 -0.288 -1.484 0.00 0.00 -0.493 OA ATOM 27 C LIG 1 3.687 -0.092 -2.699 0.00 0.00 +0.277 C ENDBRANCH 23 26 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 10 13 BRANCH 1 28 ATOM 28 C LIG 1 -2.480 3.474 -1.458 0.00 0.00 +0.204 C BRANCH 28 30 ATOM 29 C LIG 1 -4.108 5.143 -1.794 0.00 0.00 +0.194 C ATOM 30 O LIG 1 -3.693 3.823 -2.124 0.00 0.00 -0.379 OA ENDBRANCH 28 30 ENDBRANCH 1 28 BRANCH 5 31 ATOM 31 C LIG 1 -4.319 -1.012 0.637 0.00 0.00 +0.179 C BRANCH 31 32 ATOM 32 N LIG 1 -4.342 -2.398 0.190 0.00 0.00 -0.267 N ATOM 33 N LIG 1 -4.389 -3.399 1.094 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 -4.415 -4.502 0.343 0.00 0.00 +0.134 A ATOM 35 C LIG 1 -4.400 -4.215 -1.034 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -4.361 -2.842 -1.103 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 9