REMARK Name = BDB034119 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.649 0.866 1.458 0.00 0.00 -0.002 A ATOM 2 C LIG 1 -3.547 2.255 1.658 0.00 0.00 +0.124 A ATOM 3 C LIG 1 -2.433 2.820 2.287 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -1.363 2.014 2.668 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -1.412 0.644 2.403 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -2.551 0.068 1.826 0.00 0.00 +0.020 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -7.067 -2.949 -0.927 0.00 0.00 +0.244 C ATOM 8 N LIG 1 -6.221 -2.193 -0.122 0.00 0.00 -0.299 N ATOM 9 C LIG 1 -4.889 -1.848 -0.616 0.00 0.00 +0.108 C ATOM 10 C LIG 1 -4.648 -0.343 -0.538 0.00 0.00 +0.027 C ATOM 11 C LIG 1 -4.901 0.229 0.873 0.00 0.00 +0.026 C ATOM 12 C LIG 1 -5.524 -0.808 1.829 0.00 0.00 +0.027 C ATOM 13 C LIG 1 -6.647 -1.568 1.132 0.00 0.00 +0.108 C ATOM 14 O LIG 1 -6.742 -3.341 -2.052 0.00 0.00 -0.273 OA BRANCH 7 16 ATOM 15 C LIG 1 -8.381 -4.594 0.447 0.00 0.00 +0.047 C ATOM 16 C LIG 1 -8.463 -3.324 -0.385 0.00 0.00 +0.197 C BRANCH 16 17 ATOM 17 O LIG 1 -9.364 -3.554 -1.468 0.00 0.00 -0.383 OA ATOM 18 H LIG 1 -8.820 -3.938 -2.184 0.00 0.00 +0.210 HD ENDBRANCH 16 17 ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 5 19 ATOM 19 C LIG 1 -0.299 -0.241 2.807 0.00 0.00 +0.247 C ATOM 20 N LIG 1 0.943 -0.101 2.183 0.00 0.00 -0.297 N ATOM 21 C LIG 1 2.076 -0.793 2.793 0.00 0.00 +0.111 C ATOM 22 C LIG 1 3.101 -1.255 1.764 0.00 0.00 +0.063 C ATOM 23 C LIG 1 3.533 -0.088 0.878 0.00 0.00 +0.176 C ATOM 24 C LIG 1 2.298 0.485 0.184 0.00 0.00 +0.063 C ATOM 25 C LIG 1 1.259 0.937 1.198 0.00 0.00 +0.111 C ATOM 26 O LIG 1 -0.540 -1.079 3.673 0.00 0.00 -0.270 OA BRANCH 23 27 ATOM 27 O LIG 1 4.414 -0.548 -0.151 0.00 0.00 -0.489 OA BRANCH 27 28 ATOM 28 C LIG 1 5.764 -0.463 0.049 0.00 0.00 +0.125 A ATOM 29 C LIG 1 6.536 -0.634 -1.113 0.00 0.00 +0.069 A ATOM 30 C LIG 1 7.942 -0.586 -1.108 0.00 0.00 +0.036 A ATOM 31 C LIG 1 8.545 -0.361 0.137 0.00 0.00 +0.061 A ATOM 32 C LIG 1 7.784 -0.202 1.293 0.00 0.00 +0.129 A ATOM 33 F LIG 1 8.406 0.005 2.462 0.00 0.00 -0.205 F ATOM 34 C LIG 1 6.399 -0.253 1.263 0.00 0.00 +0.084 A BRANCH 30 35 ATOM 35 N LIG 1 8.694 -0.733 -2.265 0.00 0.00 -0.327 N ATOM 36 C LIG 1 8.083 -0.687 -3.604 0.00 0.00 +0.120 C ATOM 37 C LIG 1 9.133 -0.293 -4.667 0.00 0.00 +0.100 C ATOM 38 N LIG 1 10.340 -1.141 -4.737 0.00 0.00 -0.313 NA ATOM 39 H LIG 1 11.146 -0.528 -4.865 0.00 0.00 +0.122 HD ATOM 40 C LIG 1 10.516 -1.919 -3.499 0.00 0.00 +0.100 C ATOM 41 C LIG 1 10.092 -1.199 -2.199 0.00 0.00 +0.120 C ENDBRANCH 30 35 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 5 19 BRANCH 2 42 ATOM 42 O LIG 1 -4.570 3.101 1.311 0.00 0.00 -0.487 OA BRANCH 42 43 ATOM 43 C LIG 1 -4.485 3.474 -0.076 0.00 0.00 +0.188 C ATOM 44 C LIG 1 -3.733 4.797 -0.260 0.00 0.00 +0.125 C ATOM 45 N LIG 1 -4.600 5.668 -1.070 0.00 0.00 -0.312 NA ATOM 46 H LIG 1 -4.476 5.435 -2.057 0.00 0.00 +0.122 HD ATOM 47 C LIG 1 -5.955 5.283 -0.669 0.00 0.00 +0.084 C ATOM 48 C LIG 1 -5.897 3.771 -0.581 0.00 0.00 +0.061 C ENDBRANCH 42 43 ENDBRANCH 2 42 TORSDOF 9