REMARK Name = BDB015026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.585 -0.467 -0.421 0.00 0.00 -0.489 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.646 -0.929 0.308 0.00 0.00 +0.121 A ATOM 3 C LIG 1 2.844 -0.239 0.095 0.00 0.00 +0.054 A ATOM 4 C LIG 1 4.026 -0.588 0.770 0.00 0.00 -0.014 A ATOM 5 C LIG 1 3.974 -1.659 1.675 0.00 0.00 +0.009 A ATOM 6 C LIG 1 2.783 -2.354 1.893 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.620 -1.991 1.211 0.00 0.00 +0.045 A BRANCH 4 8 ATOM 8 C LIG 1 5.282 0.145 0.532 0.00 0.00 -0.016 A ATOM 9 C LIG 1 5.784 0.291 -0.776 0.00 0.00 +0.034 A ATOM 10 C LIG 1 6.983 0.993 -0.962 0.00 0.00 +0.047 A ATOM 11 C LIG 1 7.698 1.553 0.094 0.00 0.00 -0.000 A ATOM 12 C LIG 1 8.846 2.180 -0.463 0.00 0.00 +0.027 A ATOM 13 C LIG 1 8.809 1.990 -1.826 0.00 0.00 +0.083 A ATOM 14 C LIG 1 7.196 1.409 1.399 0.00 0.00 +0.010 A ATOM 15 N LIG 1 7.680 1.271 -2.117 0.00 0.00 -0.361 N ATOM 16 H LIG 1 7.392 0.983 -3.042 0.00 0.00 +0.165 HD ATOM 17 C LIG 1 5.998 0.708 1.600 0.00 0.00 +0.009 A ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -0.672 -1.137 -0.245 0.00 0.00 +0.261 C BRANCH 18 19 ATOM 19 C LIG 1 -1.713 -0.455 -1.145 0.00 0.00 +0.166 C BRANCH 19 20 ATOM 20 O LIG 1 -1.416 -0.761 -2.519 0.00 0.00 -0.387 OA ATOM 21 H LIG 1 -1.932 -0.146 -3.068 0.00 0.00 +0.210 HD ENDBRANCH 19 20 BRANCH 19 22 ATOM 22 C LIG 1 -3.150 -0.935 -0.843 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -3.626 -0.709 0.533 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 -4.960 -1.309 0.741 0.00 0.00 +0.120 C ATOM 25 C LIG 1 -6.114 -0.516 0.162 0.00 0.00 -0.030 A ATOM 26 C LIG 1 -5.991 0.864 -0.086 0.00 0.00 -0.042 A ATOM 27 C LIG 1 -7.085 1.581 -0.588 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -8.300 0.939 -0.822 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -8.431 -0.423 -0.560 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.669 1.560 0.128 0.00 0.00 +0.051 C ATOM 31 C LIG 1 -7.345 -1.147 -0.067 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -3.676 0.708 0.933 0.00 0.00 +0.089 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 7