REMARK Name = BDB038993 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.001 1.133 -0.838 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.117 0.345 -0.123 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.723 0.773 -0.084 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.765 -0.256 0.460 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.208 -1.502 0.960 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.293 -2.447 1.446 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.920 -2.186 1.480 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.495 -0.942 1.000 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.745 -0.353 0.870 0.00 0.00 -0.327 N ATOM 10 C LIG 1 -0.569 0.913 0.345 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.708 1.132 0.104 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.677 -1.841 0.915 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.381 0.006 0.503 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.548 -0.588 0.910 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.661 2.070 -1.553 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.678 1.900 0.065 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.480 3.196 0.865 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -0.359 4.096 0.340 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -0.210 4.080 -1.181 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -1.465 3.580 -1.879 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.820 2.156 -1.450 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.238 1.544 -1.396 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.298 0.756 -0.665 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.007 -0.970 1.237 0.00 0.00 +0.132 C BRANCH 24 25 ATOM 25 C LIG 1 -2.814 -1.496 0.030 0.00 0.00 +0.049 C BRANCH 25 26 ATOM 26 C LIG 1 -4.230 -1.842 0.475 0.00 0.00 -0.037 A ATOM 27 C LIG 1 -4.493 -2.877 1.385 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -5.804 -3.160 1.770 0.00 0.00 +0.126 A ATOM 29 F LIG 1 -6.030 -4.150 2.643 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -6.874 -2.435 1.268 0.00 0.00 +0.076 A ATOM 31 C LIG 1 -6.618 -1.413 0.368 0.00 0.00 +0.126 A ATOM 32 F LIG 1 -7.638 -0.700 -0.128 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -5.316 -1.109 -0.031 0.00 0.00 +0.042 A ENDBRANCH 25 26 BRANCH 25 34 ATOM 34 C LIG 1 -2.115 -2.684 -0.655 0.00 0.00 +0.130 C BRANCH 34 35 ATOM 35 C LIG 1 -2.856 -3.171 -1.869 0.00 0.00 +0.305 C ATOM 36 O LIG 1 -3.194 -4.323 -2.084 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -3.089 -2.204 -2.774 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -3.530 -2.671 -3.516 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 25 34 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8