REMARK Name = BDB047544 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.114 -0.562 -0.691 0.00 0.00 +0.033 C ATOM 2 C LIG 1 -2.650 -0.827 -0.922 0.00 0.00 -0.040 A ATOM 3 C LIG 1 -2.051 0.205 -1.650 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -0.698 0.180 -1.965 0.00 0.00 +0.049 A ATOM 5 C LIG 1 0.064 -0.914 -1.552 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -0.544 -1.954 -0.830 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -3.028 1.292 -1.964 0.00 0.00 +0.036 C ATOM 8 C LIG 1 -1.904 -1.918 -0.510 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -4.369 0.603 -1.680 0.00 0.00 +0.013 C ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -4.532 -0.238 0.760 0.00 0.00 +0.105 C BRANCH 10 12 ATOM 11 C LIG 1 -4.245 1.252 2.811 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -3.643 0.786 1.489 0.00 0.00 +0.012 C ENDBRANCH 10 12 BRANCH 10 13 ATOM 13 C LIG 1 -4.628 -1.533 1.541 0.00 0.00 +0.308 C ATOM 14 O LIG 1 -3.809 -2.003 2.312 0.00 0.00 -0.251 OA BRANCH 13 15 ATOM 15 O LIG 1 -5.782 -2.190 1.298 0.00 0.00 -0.480 OA ATOM 16 H LIG 1 -5.719 -2.991 1.860 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 5 17 ATOM 17 O LIG 1 1.402 -1.092 -1.782 0.00 0.00 -0.490 OA BRANCH 17 18 ATOM 18 C LIG 1 2.072 -0.073 -2.534 0.00 0.00 +0.247 C BRANCH 18 19 ATOM 19 C LIG 1 3.545 -0.470 -2.660 0.00 0.00 +0.145 C BRANCH 19 20 ATOM 20 N LIG 1 4.236 -0.426 -1.381 0.00 0.00 -0.308 N ATOM 21 H LIG 1 4.036 -1.182 -0.739 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 4.668 0.776 -0.856 0.00 0.00 +0.244 C ATOM 23 O LIG 1 4.592 1.838 -1.465 0.00 0.00 -0.270 OA BRANCH 22 24 ATOM 24 C LIG 1 5.201 0.739 0.534 0.00 0.00 +0.037 A ATOM 25 C LIG 1 5.780 -0.415 1.077 0.00 0.00 +0.013 A ATOM 26 C LIG 1 6.268 -0.403 2.386 0.00 0.00 +0.001 A ATOM 27 C LIG 1 6.186 0.760 3.152 0.00 0.00 +0.000 A ATOM 28 C LIG 1 5.624 1.916 2.611 0.00 0.00 +0.001 A ATOM 29 C LIG 1 5.136 1.908 1.303 0.00 0.00 +0.013 A ENDBRANCH 22 24 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 5 17 TORSDOF 9