REMARK Name = BDB036510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.118 -1.101 -0.425 0.00 0.00 +0.192 A ATOM 2 C LIG 1 0.086 -0.675 0.204 0.00 0.00 +0.109 A ATOM 3 C LIG 1 0.963 -0.525 -0.861 0.00 0.00 +0.175 A ATOM 4 C LIG 1 2.291 -0.097 -0.767 0.00 0.00 +0.076 A ATOM 5 C LIG 1 2.777 0.215 0.507 0.00 0.00 +0.075 A ATOM 6 C LIG 1 1.917 0.058 1.610 0.00 0.00 +0.187 A ATOM 7 F LIG 1 2.392 0.357 2.833 0.00 0.00 -0.200 F ATOM 8 O LIG 1 0.340 -0.861 -2.017 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 0.592 -0.400 1.488 0.00 0.00 +0.171 A ATOM 10 N LIG 1 -0.953 -1.248 -1.746 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -2.378 -1.413 0.080 0.00 0.00 -0.196 N ATOM 12 H LIG 1 -3.034 -1.604 -0.679 0.00 0.00 +0.175 HD BRANCH 11 13 ATOM 13 S LIG 1 -3.074 -0.548 1.338 0.00 0.00 +0.077 S ATOM 14 O LIG 1 -2.677 0.842 1.268 0.00 0.00 -0.150 OA ATOM 15 O LIG 1 -2.923 -1.339 2.542 0.00 0.00 -0.150 OA BRANCH 13 17 ATOM 16 C LIG 1 -5.254 -0.226 -0.335 0.00 0.00 +0.147 A ATOM 17 C LIG 1 -4.806 -0.582 0.939 0.00 0.00 +0.153 A ATOM 18 C LIG 1 -5.721 -0.955 1.927 0.00 0.00 +0.071 A ATOM 19 C LIG 1 -7.077 -0.975 1.624 0.00 0.00 +0.128 A ATOM 20 F LIG 1 -7.946 -1.343 2.576 0.00 0.00 -0.205 F ATOM 21 C LIG 1 -7.547 -0.627 0.354 0.00 0.00 -0.012 A ATOM 22 C LIG 1 -9.012 -0.702 0.044 0.00 0.00 +0.047 C ATOM 23 C LIG 1 -6.620 -0.270 -0.634 0.00 0.00 +0.053 A BRANCH 16 24 ATOM 24 O LIG 1 -4.355 0.068 -1.323 0.00 0.00 -0.490 OA BRANCH 24 26 ATOM 25 C LIG 1 -3.162 1.792 -2.467 0.00 0.00 +0.048 C ATOM 26 C LIG 1 -4.427 1.450 -1.703 0.00 0.00 +0.226 C ENDBRANCH 24 26 ENDBRANCH 16 24 ENDBRANCH 13 17 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 27 ATOM 27 N LIG 1 4.111 0.627 0.753 0.00 0.00 -0.297 N ATOM 28 H LIG 1 4.168 1.194 1.603 0.00 0.00 +0.154 HD BRANCH 27 29 ATOM 29 C LIG 1 5.194 0.563 -0.053 0.00 0.00 +0.119 A ATOM 30 N LIG 1 5.406 -0.425 -0.980 0.00 0.00 -0.264 N ATOM 31 H LIG 1 4.815 -1.222 -1.179 0.00 0.00 +0.190 HD ATOM 32 N LIG 1 6.558 -0.297 -1.662 0.00 0.00 -0.177 NA ATOM 33 C LIG 1 7.125 0.769 -1.097 0.00 0.00 +0.068 A ATOM 34 C LIG 1 6.332 1.338 -0.083 0.00 0.00 +0.068 A BRANCH 33 35 ATOM 35 C LIG 1 8.506 1.321 -1.535 0.00 0.00 +0.040 C ATOM 36 C LIG 1 9.636 1.364 -0.538 0.00 0.00 +0.010 C ATOM 37 C LIG 1 9.669 0.371 -1.662 0.00 0.00 +0.010 C ENDBRANCH 33 35 ENDBRANCH 27 29 ENDBRANCH 5 27 BRANCH 9 38 ATOM 38 O LIG 1 -0.190 -0.505 2.611 0.00 0.00 -0.491 OA ATOM 39 C LIG 1 0.126 -1.692 3.340 0.00 0.00 +0.277 C ENDBRANCH 9 38 TORSDOF 9