REMARK Name = BDB047529 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.754 -2.495 -0.734 0.00 0.00 +0.033 C ATOM 2 C LIG 1 -2.744 -1.372 -0.745 0.00 0.00 -0.040 A ATOM 3 C LIG 1 -1.441 -1.863 -0.823 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -0.346 -1.012 -0.813 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.561 0.372 -0.752 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -1.887 0.888 -0.704 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -1.436 -3.357 -0.902 0.00 0.00 +0.036 C ATOM 8 C LIG 1 -2.977 -0.007 -0.707 0.00 0.00 +0.016 A ATOM 9 C LIG 1 -2.879 -3.616 -1.359 0.00 0.00 +0.013 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.163 2.335 -0.643 0.00 0.00 -0.014 A ATOM 11 C LIG 1 -1.806 3.092 0.482 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -2.085 4.461 0.540 0.00 0.00 +0.046 A ATOM 13 C LIG 1 -2.724 5.104 -0.521 0.00 0.00 +0.120 A ATOM 14 C LIG 1 -3.085 4.363 -1.646 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -2.807 2.991 -1.703 0.00 0.00 +0.012 A BRANCH 13 16 ATOM 16 O LIG 1 -2.936 6.442 -0.336 0.00 0.00 -0.495 OA ATOM 17 C LIG 1 -3.552 7.148 -1.406 0.00 0.00 +0.277 C ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 1 18 ATOM 18 C LIG 1 -4.270 -2.864 0.678 0.00 0.00 +0.105 C BRANCH 18 20 ATOM 19 C LIG 1 -5.544 -2.097 2.761 0.00 0.00 +0.004 C ATOM 20 C LIG 1 -5.060 -1.730 1.362 0.00 0.00 +0.012 C ENDBRANCH 18 20 BRANCH 18 21 ATOM 21 C LIG 1 -5.134 -4.102 0.582 0.00 0.00 +0.308 C ATOM 22 O LIG 1 -4.898 -5.178 1.109 0.00 0.00 -0.251 OA BRANCH 21 23 ATOM 23 O LIG 1 -6.239 -3.939 -0.168 0.00 0.00 -0.480 OA ATOM 24 H LIG 1 -6.691 -4.809 -0.122 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 1 18 BRANCH 5 25 ATOM 25 O LIG 1 0.441 1.311 -0.747 0.00 0.00 -0.491 OA BRANCH 25 26 ATOM 26 C LIG 1 1.806 0.889 -0.731 0.00 0.00 +0.235 C BRANCH 26 27 ATOM 27 C LIG 1 2.265 0.577 0.692 0.00 0.00 +0.100 C BRANCH 27 28 ATOM 28 C LIG 1 3.608 -0.051 0.720 0.00 0.00 +0.086 A ATOM 29 C LIG 1 3.967 -1.341 1.047 0.00 0.00 +0.126 A ATOM 30 C LIG 1 3.235 -2.545 1.476 0.00 0.00 +0.088 C ATOM 31 O LIG 1 5.322 -1.446 0.912 0.00 0.00 -0.440 OA ATOM 32 C LIG 1 5.723 -0.198 0.508 0.00 0.00 +0.228 A ATOM 33 N LIG 1 4.732 0.665 0.378 0.00 0.00 -0.214 NA BRANCH 32 34 ATOM 34 C LIG 1 7.153 -0.005 0.280 0.00 0.00 +0.037 A ATOM 35 C LIG 1 8.082 -1.041 0.458 0.00 0.00 +0.013 A ATOM 36 C LIG 1 9.444 -0.826 0.231 0.00 0.00 +0.001 A ATOM 37 C LIG 1 9.895 0.428 -0.176 0.00 0.00 +0.000 A ATOM 38 C LIG 1 8.986 1.468 -0.357 0.00 0.00 +0.001 A ATOM 39 C LIG 1 7.624 1.252 -0.130 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 11