REMARK Name = BDB015183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.122 -1.187 -0.782 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -0.761 -1.241 -0.440 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.005 -2.372 -0.732 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -0.581 -3.486 -1.323 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -1.928 -3.454 -1.672 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -2.690 -2.312 -1.408 0.00 0.00 +0.009 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 -6.078 1.308 1.102 0.00 0.00 -0.324 N ATOM 8 C LIG 1 -4.885 1.056 0.472 0.00 0.00 +0.070 A ATOM 9 C LIG 1 -4.455 2.318 0.071 0.00 0.00 +0.089 A ATOM 10 C LIG 1 -3.249 2.440 -0.632 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -2.504 1.283 -0.902 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -2.933 0.009 -0.487 0.00 0.00 -0.016 A ATOM 13 N LIG 1 -5.336 3.295 0.470 0.00 0.00 -0.236 NA ATOM 14 C LIG 1 -4.147 -0.110 0.219 0.00 0.00 +0.036 A ATOM 15 C LIG 1 -6.283 2.657 1.120 0.00 0.00 +0.200 A BRANCH 7 19 ATOM 16 C LIG 1 -9.814 -0.886 0.568 0.00 0.00 +0.105 C ATOM 17 N LIG 1 -8.710 -0.769 1.516 0.00 0.00 -0.301 NA ATOM 18 C LIG 1 -7.404 -0.824 0.808 0.00 0.00 +0.110 C ATOM 19 C LIG 1 -6.924 0.303 1.759 0.00 0.00 +0.117 C ATOM 20 C LIG 1 -8.432 0.657 1.828 0.00 0.00 +0.110 C ENDBRANCH 7 19 ENDBRANCH 1 12 BRANCH 3 21 ATOM 21 O LIG 1 1.322 -2.463 -0.378 0.00 0.00 -0.489 OA BRANCH 21 22 ATOM 22 C LIG 1 2.148 -1.482 -1.030 0.00 0.00 +0.261 C BRANCH 22 23 ATOM 23 C LIG 1 2.973 -0.726 0.020 0.00 0.00 +0.166 C BRANCH 23 24 ATOM 24 O LIG 1 2.149 0.256 0.671 0.00 0.00 -0.387 OA ATOM 25 H LIG 1 2.783 0.885 1.072 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 4.163 0.007 -0.637 0.00 0.00 +0.119 C BRANCH 26 27 ATOM 27 N LIG 1 4.893 0.857 0.334 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 5.812 1.785 -0.358 0.00 0.00 +0.120 C ATOM 29 C LIG 1 7.227 1.280 -0.499 0.00 0.00 -0.030 A ATOM 30 C LIG 1 7.819 0.682 0.626 0.00 0.00 -0.042 A ATOM 31 C LIG 1 9.153 0.276 0.589 0.00 0.00 +0.004 A ATOM 32 C LIG 1 9.894 0.451 -0.580 0.00 0.00 +0.000 A ATOM 33 C LIG 1 9.308 1.038 -1.703 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.945 0.521 1.841 0.00 0.00 +0.051 C ATOM 35 C LIG 1 7.978 1.460 -1.663 0.00 0.00 +0.005 A ATOM 36 C LIG 1 5.556 0.041 1.383 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 8