REMARK Name = BDB045385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.935 -2.557 2.630 0.00 0.00 +0.050 C ATOM 2 C LIG 1 -3.220 -2.049 1.926 0.00 0.00 +0.140 C ATOM 3 C LIG 1 -4.430 -2.263 2.855 0.00 0.00 +0.113 C ATOM 4 N LIG 1 -4.354 -1.572 4.145 0.00 0.00 -0.313 NA ATOM 5 H LIG 1 -4.875 -0.696 4.101 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 -2.988 -1.297 4.587 0.00 0.00 +0.081 C ATOM 7 C LIG 1 -1.999 -2.380 4.163 0.00 0.00 +0.026 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 1.720 -0.849 0.994 0.00 0.00 +0.121 A ATOM 9 C LIG 1 0.732 -0.018 1.526 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -0.446 -0.550 2.059 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.662 -1.934 2.064 0.00 0.00 -0.042 A ATOM 12 C LIG 1 0.336 -2.763 1.531 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.515 -2.226 0.998 0.00 0.00 +0.046 A BRANCH 8 14 ATOM 14 O LIG 1 2.812 -0.188 0.510 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 3.901 -0.938 -0.026 0.00 0.00 +0.229 C BRANCH 15 16 ATOM 16 C LIG 1 3.696 -1.261 -1.508 0.00 0.00 +0.044 C BRANCH 16 17 ATOM 17 C LIG 1 3.410 -0.051 -2.410 0.00 0.00 +0.044 C BRANCH 17 18 ATOM 18 C LIG 1 4.624 0.844 -2.661 0.00 0.00 +0.229 C BRANCH 18 19 ATOM 19 O LIG 1 4.945 1.558 -1.472 0.00 0.00 -0.492 OA BRANCH 19 23 ATOM 20 C LIG 1 8.318 3.993 -1.262 0.00 0.00 +0.000 A ATOM 21 C LIG 1 7.534 3.722 -0.142 0.00 0.00 +0.004 A ATOM 22 C LIG 1 6.411 2.902 -0.262 0.00 0.00 +0.045 A ATOM 23 C LIG 1 6.064 2.343 -1.496 0.00 0.00 +0.120 A ATOM 24 C LIG 1 6.850 2.620 -2.616 0.00 0.00 +0.045 A ATOM 25 C LIG 1 7.975 3.444 -2.498 0.00 0.00 +0.004 A ENDBRANCH 19 23 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 O LIG 1 -3.470 -2.803 0.727 0.00 0.00 -0.370 OA BRANCH 26 27 ATOM 27 C LIG 1 -2.960 -2.197 -0.462 0.00 0.00 +0.195 C BRANCH 27 28 ATOM 28 C LIG 1 -3.832 -1.052 -0.916 0.00 0.00 -0.021 A ATOM 29 C LIG 1 -3.272 0.206 -1.187 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -4.072 1.281 -1.609 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -5.464 1.088 -1.769 0.00 0.00 -0.018 A ATOM 32 C LIG 1 -6.264 2.163 -2.190 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -5.701 3.412 -2.451 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.330 3.604 -2.293 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -6.018 -0.173 -1.503 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -3.521 2.546 -1.875 0.00 0.00 +0.008 A ATOM 37 C LIG 1 -5.210 -1.232 -1.083 0.00 0.00 +0.006 A ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 11