REMARK Name = BDB002984 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.356 -0.019 0.023 0.00 0.00 +0.100 C ATOM 2 C LIG 1 0.416 -0.947 0.630 0.00 0.00 +0.074 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 1.833 -0.890 0.747 0.00 0.00 +0.131 A ATOM 4 O LIG 1 2.477 -1.179 1.928 0.00 0.00 -0.455 OA ATOM 5 C LIG 1 3.818 -1.082 1.733 0.00 0.00 +0.138 A ATOM 6 C LIG 1 4.076 -0.715 0.434 0.00 0.00 +0.050 A ATOM 7 C LIG 1 2.814 -0.619 -0.202 0.00 0.00 +0.050 A BRANCH 5 8 ATOM 8 C LIG 1 4.646 -1.359 2.898 0.00 0.00 +0.047 A ATOM 9 C LIG 1 4.476 -2.482 3.723 0.00 0.00 +0.137 A ATOM 10 C LIG 1 5.263 -2.689 4.868 0.00 0.00 +0.033 A ATOM 11 C LIG 1 6.251 -1.762 5.194 0.00 0.00 +0.002 A ATOM 12 C LIG 1 6.450 -0.647 4.380 0.00 0.00 +0.001 A ATOM 13 C LIG 1 5.657 -0.448 3.244 0.00 0.00 +0.014 A BRANCH 9 14 ATOM 14 N LIG 1 3.511 -3.518 3.388 0.00 0.00 +0.057 N ATOM 15 O LIG 1 2.701 -3.839 4.269 0.00 0.00 -0.126 OA ATOM 16 O LIG 1 3.610 -4.051 2.273 0.00 0.00 -0.126 OA ENDBRANCH 9 14 ENDBRANCH 5 8 ENDBRANCH 2 3 BRANCH 1 18 ATOM 17 C LIG 1 -0.460 2.236 -1.070 0.00 0.00 +0.248 C ATOM 18 N LIG 1 0.175 1.159 -0.490 0.00 0.00 -0.277 N ATOM 19 H LIG 1 1.150 1.307 -0.263 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -1.656 2.323 -1.315 0.00 0.00 -0.270 OA BRANCH 17 25 ATOM 21 C LIG 1 2.843 6.796 -2.454 0.00 0.00 +0.044 C ATOM 22 C LIG 1 2.011 5.609 -2.066 0.00 0.00 -0.050 A ATOM 23 C LIG 1 0.694 5.785 -1.624 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -0.097 4.680 -1.300 0.00 0.00 +0.013 A ATOM 25 C LIG 1 0.422 3.386 -1.417 0.00 0.00 +0.037 A ATOM 26 C LIG 1 1.728 3.202 -1.887 0.00 0.00 +0.013 A ATOM 27 C LIG 1 2.516 4.311 -2.209 0.00 0.00 +0.004 A ENDBRANCH 17 25 ENDBRANCH 1 18 BRANCH 1 28 ATOM 28 C LIG 1 -1.822 -0.406 0.017 0.00 0.00 +0.258 C ATOM 29 N LIG 1 -2.538 -0.072 -1.103 0.00 0.00 -0.310 N ATOM 30 H LIG 1 -2.178 0.718 -1.634 0.00 0.00 +0.149 HD ATOM 31 O LIG 1 -2.313 -1.038 0.951 0.00 0.00 -0.269 OA BRANCH 29 32 ATOM 32 C LIG 1 -3.969 -0.287 -1.176 0.00 0.00 +0.106 C BRANCH 32 33 ATOM 33 C LIG 1 -4.321 -1.738 -1.500 0.00 0.00 +0.034 C BRANCH 33 34 ATOM 34 C LIG 1 -5.842 -1.920 -1.563 0.00 0.00 +0.085 C BRANCH 34 35 ATOM 35 N LIG 1 -6.250 -3.271 -1.991 0.00 0.00 -0.308 NA ATOM 36 C LIG 1 -5.930 -4.282 -0.978 0.00 0.00 +0.104 C ATOM 37 C LIG 1 -7.689 -3.293 -2.269 0.00 0.00 +0.104 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 1 28 TORSDOF 10