REMARK Name = BDB062600 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 -1.741 1.521 1.183 0.00 0.00 +0.194 C ENDROOT BRANCH 1 4 ATOM 2 O UNK A 0 -4.333 1.797 0.042 0.00 0.00 -0.226 OA ATOM 3 C UNK A 0 -3.503 1.074 -0.483 0.00 0.00 +0.401 C ATOM 4 N UNK A 1 -2.277 0.786 0.035 0.00 0.00 -0.267 N ATOM 5 H UNK A 1 -1.634 0.386 -0.636 0.00 0.00 +0.153 HD BRANCH 3 6 ATOM 6 O UNK A 0 -3.627 0.453 -1.677 0.00 0.00 -0.446 OA BRANCH 6 7 ATOM 7 C UNK A 0 -4.883 0.633 -2.342 0.00 0.00 +0.269 C BRANCH 7 8 ATOM 8 C UNK A 0 -5.763 -0.563 -2.088 0.00 0.00 -0.010 A ATOM 9 C UNK A 0 -6.684 -0.554 -1.032 0.00 0.00 +0.007 A ATOM 10 C UNK A 0 -7.486 -1.668 -0.782 0.00 0.00 +0.000 A ATOM 11 C UNK A 0 -7.369 -2.805 -1.581 0.00 0.00 +0.000 A ATOM 12 C UNK A 0 -6.448 -2.830 -2.626 0.00 0.00 +0.000 A ATOM 13 C UNK A 0 -5.644 -1.716 -2.877 0.00 0.00 +0.007 A ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 3 6 ENDBRANCH 1 4 BRANCH 1 14 ATOM 14 C UNK A 1 -1.032 2.741 0.610 0.00 0.00 +0.326 C ATOM 15 O UNK A 1 -0.255 2.742 -0.335 0.00 0.00 -0.249 OA BRANCH 14 16 ATOM 16 O UNK A 1 -1.330 3.889 1.248 0.00 0.00 -0.479 OA ATOM 17 H UNK A 1 -0.877 4.593 0.739 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 1 14 BRANCH 1 18 ATOM 18 C UNK A 1 -0.762 0.636 1.961 0.00 0.00 +0.103 C BRANCH 18 19 ATOM 19 S UNK A 1 -0.275 1.284 3.602 0.00 0.00 -0.154 S BRANCH 19 20 ATOM 20 C UNK A 1 1.220 2.240 3.184 0.00 0.00 +0.104 C BRANCH 20 21 ATOM 21 C UNK A 1 2.355 1.399 2.657 0.00 0.00 -0.038 A ATOM 22 C UNK A 1 2.797 1.546 1.333 0.00 0.00 +0.005 A ATOM 23 C UNK A 1 3.855 0.774 0.844 0.00 0.00 +0.012 A ATOM 24 C UNK A 1 4.479 -0.162 1.675 0.00 0.00 +0.022 A ATOM 25 C UNK A 1 4.063 -0.298 3.002 0.00 0.00 +0.012 A ATOM 26 C UNK A 1 3.005 0.474 3.488 0.00 0.00 +0.005 A BRANCH 24 27 ATOM 27 C UNK A 1 5.616 -0.991 1.200 0.00 0.00 +0.193 C ATOM 28 O UNK A 1 6.527 -1.259 1.978 0.00 0.00 -0.287 OA BRANCH 27 29 ATOM 29 C UNK A 1 5.676 -1.501 -0.193 0.00 0.00 +0.022 A ATOM 30 C UNK A 1 4.524 -1.902 -0.881 0.00 0.00 +0.012 A ATOM 31 C UNK A 1 4.627 -2.388 -2.186 0.00 0.00 +0.001 A ATOM 32 C UNK A 1 5.876 -2.484 -2.801 0.00 0.00 +0.000 A ATOM 33 C UNK A 1 7.027 -2.105 -2.110 0.00 0.00 +0.001 A ATOM 34 C UNK A 1 6.929 -1.620 -0.806 0.00 0.00 +0.012 A ENDBRANCH 27 29 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 12