REMARK Name = BDB021567 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.989 -1.822 -0.467 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -0.701 -0.624 -0.426 0.00 0.00 +0.250 C ATOM 3 N LIG 1 -1.684 0.343 -0.242 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -1.430 1.760 -0.453 0.00 0.00 +0.149 C ATOM 5 C LIG 1 -0.768 1.980 -1.801 0.00 0.00 +0.248 C ATOM 6 O LIG 1 0.650 1.976 -1.690 0.00 0.00 -0.490 OA ATOM 7 C LIG 1 1.277 0.912 -1.109 0.00 0.00 +0.136 A ATOM 8 C LIG 1 2.675 1.077 -1.123 0.00 0.00 +0.092 A ATOM 9 C LIG 1 3.550 0.123 -0.598 0.00 0.00 +0.124 A ATOM 10 C LIG 1 3.017 -1.030 -0.042 0.00 0.00 +0.046 A ATOM 11 C LIG 1 1.630 -1.209 -0.017 0.00 0.00 +0.020 A ATOM 12 C LIG 1 0.739 -0.246 -0.539 0.00 0.00 +0.079 A ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -3.086 -0.099 -0.221 0.00 0.00 +0.140 C BRANCH 13 14 ATOM 14 C LIG 1 -3.666 -0.270 -1.635 0.00 0.00 +0.146 C BRANCH 14 15 ATOM 15 O LIG 1 -3.952 1.028 -2.192 0.00 0.00 -0.389 OA ATOM 16 H LIG 1 -4.860 1.228 -1.877 0.00 0.00 +0.210 HD ENDBRANCH 14 15 BRANCH 14 17 ATOM 17 C LIG 1 -4.964 -1.109 -1.671 0.00 0.00 +0.117 C BRANCH 17 18 ATOM 18 N LIG 1 -6.107 -0.354 -1.103 0.00 0.00 -0.295 NA ATOM 19 C LIG 1 -6.406 -0.811 0.274 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -7.637 -0.162 0.868 0.00 0.00 -0.030 A ATOM 21 C LIG 1 -8.636 0.378 0.040 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -9.785 0.942 0.610 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -9.954 0.947 1.994 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -8.976 0.395 2.818 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -8.439 0.407 -1.454 0.00 0.00 +0.051 C ATOM 26 C LIG 1 -7.824 -0.160 2.259 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -7.320 -0.532 -1.925 0.00 0.00 +0.089 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 13 14 ENDBRANCH 3 13 BRANCH 9 28 ATOM 28 O LIG 1 4.871 0.449 -0.696 0.00 0.00 -0.489 OA BRANCH 28 29 ATOM 29 C LIG 1 5.865 -0.474 -0.230 0.00 0.00 +0.176 C ATOM 30 C LIG 1 7.160 -0.176 -1.002 0.00 0.00 +0.060 C ATOM 31 C LIG 1 8.034 0.819 -0.243 0.00 0.00 +0.088 C ATOM 32 N LIG 1 8.458 0.334 1.083 0.00 0.00 -0.300 NA ATOM 33 C LIG 1 7.499 -0.609 1.687 0.00 0.00 +0.088 C ATOM 34 C LIG 1 6.061 -0.305 1.282 0.00 0.00 +0.060 C BRANCH 32 35 ATOM 35 C LIG 1 9.830 -0.221 1.045 0.00 0.00 +0.112 C BRANCH 35 36 ATOM 36 C LIG 1 10.403 -0.452 2.452 0.00 0.00 +0.171 C BRANCH 36 37 ATOM 37 O LIG 1 10.280 0.738 3.228 0.00 0.00 -0.394 OA ATOM 38 H LIG 1 9.455 1.160 2.913 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 9 28 TORSDOF 10