REMARK Name = BDB039038 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.907 -2.418 1.539 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.250 -1.423 0.836 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -3.804 -1.346 0.986 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -3.115 -0.465 -0.027 0.00 0.00 +0.002 A ATOM 5 C LIG 1 -3.835 0.299 -0.984 0.00 0.00 -0.022 A ATOM 6 C LIG 1 -3.146 1.079 -1.938 0.00 0.00 +0.057 A ATOM 7 C LIG 1 -1.743 1.154 -1.938 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -1.055 0.420 -0.966 0.00 0.00 +0.070 A ATOM 9 N LIG 1 0.289 0.271 -0.670 0.00 0.00 -0.327 N ATOM 10 C LIG 1 0.398 -0.616 0.384 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -0.803 -0.989 0.785 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -5.348 0.203 -1.001 0.00 0.00 +0.056 C ATOM 13 C LIG 1 -1.707 -0.373 -0.035 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -5.920 -0.230 0.346 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -5.339 -3.315 2.150 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 1.655 -1.149 1.024 0.00 0.00 +0.055 C ATOM 17 C LIG 1 2.560 -0.066 1.620 0.00 0.00 +0.012 C ATOM 18 C LIG 1 3.775 -0.676 2.320 0.00 0.00 +0.015 C ATOM 19 C LIG 1 4.554 -1.608 1.386 0.00 0.00 +0.098 C ATOM 20 C LIG 1 3.642 -2.702 0.818 0.00 0.00 +0.015 C ATOM 21 C LIG 1 2.421 -2.115 0.110 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 5.732 -2.216 2.117 0.00 0.00 +0.308 C ATOM 23 O LIG 1 5.890 -3.385 2.420 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 6.675 -1.300 2.418 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 7.369 -1.820 2.876 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 -7.974 -3.311 2.184 0.00 0.00 +0.282 C ATOM 27 O LIG 1 -7.262 -2.295 1.478 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 6 28 ATOM 28 C LIG 1 -3.850 1.823 -2.947 0.00 0.00 +0.100 C ATOM 29 N LIG 1 -4.412 2.430 -3.761 0.00 0.00 -0.191 NA ENDBRANCH 6 28 BRANCH 9 30 ATOM 30 C LIG 1 1.349 0.952 -1.393 0.00 0.00 +0.128 C BRANCH 30 31 ATOM 31 C LIG 1 1.496 2.415 -0.970 0.00 0.00 +0.057 C BRANCH 31 32 ATOM 32 C LIG 1 2.646 3.076 -1.686 0.00 0.00 -0.046 A ATOM 33 C LIG 1 2.466 3.622 -2.965 0.00 0.00 +0.004 A ATOM 34 C LIG 1 3.537 4.210 -3.639 0.00 0.00 +0.000 A ATOM 35 C LIG 1 4.796 4.257 -3.043 0.00 0.00 +0.000 A ATOM 36 C LIG 1 4.986 3.716 -1.773 0.00 0.00 +0.000 A ATOM 37 C LIG 1 3.917 3.127 -1.097 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 9 30 TORSDOF 8