REMARK Name = BDB036537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.547 -1.518 1.062 0.00 0.00 +0.192 A ATOM 2 C LIG 1 -0.475 -0.774 0.499 0.00 0.00 +0.109 A ATOM 3 C LIG 1 0.632 -1.558 0.777 0.00 0.00 +0.175 A ATOM 4 C LIG 1 1.943 -1.258 0.406 0.00 0.00 +0.076 A ATOM 5 C LIG 1 2.152 -0.058 -0.280 0.00 0.00 +0.075 A ATOM 6 C LIG 1 1.041 0.767 -0.559 0.00 0.00 +0.187 A ATOM 7 F LIG 1 1.282 1.932 -1.188 0.00 0.00 -0.200 F ATOM 8 O LIG 1 0.249 -2.657 1.479 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 -0.279 0.436 -0.193 0.00 0.00 +0.171 A ATOM 10 N LIG 1 -1.115 -2.612 1.696 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -2.909 -1.220 1.100 0.00 0.00 -0.196 N ATOM 12 H LIG 1 -3.395 -1.904 1.684 0.00 0.00 +0.175 HD BRANCH 11 13 ATOM 13 S LIG 1 -3.773 -1.152 -0.358 0.00 0.00 +0.077 S ATOM 14 O LIG 1 -4.785 -2.179 -0.213 0.00 0.00 -0.150 OA ATOM 15 O LIG 1 -2.853 -1.132 -1.474 0.00 0.00 -0.150 OA BRANCH 13 17 ATOM 16 C LIG 1 -5.519 0.743 -1.315 0.00 0.00 +0.149 A ATOM 17 C LIG 1 -4.609 0.418 -0.294 0.00 0.00 +0.150 A ATOM 18 C LIG 1 -4.365 1.311 0.762 0.00 0.00 +0.035 A ATOM 19 C LIG 1 -5.031 2.534 0.801 0.00 0.00 +0.040 A ATOM 20 C LIG 1 -5.930 2.852 -0.208 0.00 0.00 +0.127 A ATOM 21 F LIG 1 -6.568 4.029 -0.172 0.00 0.00 -0.205 F ATOM 22 C LIG 1 -6.179 1.974 -1.260 0.00 0.00 +0.086 A BRANCH 16 24 ATOM 23 C LIG 1 -6.677 0.090 -3.304 0.00 0.00 +0.277 C ATOM 24 O LIG 1 -5.691 -0.174 -2.315 0.00 0.00 -0.493 OA ENDBRANCH 16 24 ENDBRANCH 13 17 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 25 ATOM 25 N LIG 1 3.436 0.398 -0.673 0.00 0.00 -0.297 N ATOM 26 H LIG 1 3.361 1.142 -1.368 0.00 0.00 +0.154 HD BRANCH 25 27 ATOM 27 C LIG 1 4.649 0.052 -0.180 0.00 0.00 +0.119 A ATOM 28 N LIG 1 5.792 0.417 -0.848 0.00 0.00 -0.264 N ATOM 29 H LIG 1 5.862 0.920 -1.723 0.00 0.00 +0.190 HD ATOM 30 N LIG 1 6.930 0.025 -0.251 0.00 0.00 -0.177 NA ATOM 31 C LIG 1 6.501 -0.596 0.848 0.00 0.00 +0.068 A ATOM 32 C LIG 1 5.094 -0.604 0.946 0.00 0.00 +0.068 A BRANCH 31 33 ATOM 33 C LIG 1 7.495 -1.211 1.874 0.00 0.00 +0.040 C ATOM 34 C LIG 1 7.135 -2.462 2.632 0.00 0.00 +0.010 C ATOM 35 C LIG 1 7.203 -1.144 3.350 0.00 0.00 +0.010 C ENDBRANCH 31 33 ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 9 36 ATOM 36 O LIG 1 -1.352 1.263 -0.412 0.00 0.00 -0.491 OA ATOM 37 C LIG 1 -1.395 1.813 -1.730 0.00 0.00 +0.277 C ENDBRANCH 9 36 TORSDOF 8