REMARK Name = BDB038691 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.624 1.164 0.211 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.790 1.634 1.519 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -3.055 1.923 2.066 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -4.178 1.733 1.246 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -4.064 1.262 -0.070 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -2.776 1.006 -0.572 0.00 0.00 +0.032 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.064 -0.120 -1.461 0.00 0.00 -0.030 A ATOM 8 C LIG 1 3.285 0.371 -0.400 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.915 0.462 -0.583 0.00 0.00 +0.045 A ATOM 10 C LIG 1 0.885 0.940 0.346 0.00 0.00 +0.252 C ATOM 11 N LIG 1 -0.344 0.837 -0.316 0.00 0.00 -0.263 N ATOM 12 C LIG 1 -0.174 0.286 -1.661 0.00 0.00 +0.152 C ATOM 13 O LIG 1 1.163 1.334 1.464 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.293 0.082 -1.761 0.00 0.00 +0.018 A ATOM 15 C LIG 1 2.046 -0.406 -2.804 0.00 0.00 +0.129 A ATOM 16 F LIG 1 1.461 -0.775 -3.949 0.00 0.00 -0.205 F ATOM 17 C LIG 1 3.430 -0.513 -2.661 0.00 0.00 +0.043 A BRANCH 7 18 ATOM 18 C LIG 1 5.561 -0.257 -1.304 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 N LIG 1 5.878 -1.419 -0.475 0.00 0.00 -0.307 NA ATOM 20 H LIG 1 5.447 -2.240 -0.902 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 7.330 -1.646 -0.354 0.00 0.00 +0.076 C ATOM 22 C LIG 1 7.548 -3.078 0.154 0.00 0.00 +0.026 C BRANCH 21 23 ATOM 23 C LIG 1 8.016 -0.640 0.596 0.00 0.00 +0.177 C BRANCH 23 25 ATOM 24 C LIG 1 10.102 0.020 1.479 0.00 0.00 +0.194 C ATOM 25 O LIG 1 9.431 -0.860 0.586 0.00 0.00 -0.381 OA ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -5.267 1.025 -0.897 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -5.540 -0.218 -1.522 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -6.678 -0.362 -2.337 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -7.567 0.700 -2.519 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -7.318 1.921 -1.893 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.180 2.080 -1.096 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -4.657 -1.377 -1.390 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -4.400 -2.089 -0.244 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -4.966 -1.916 1.066 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -3.489 -3.043 -0.583 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -3.211 -2.951 -1.861 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -3.957 -1.915 -2.373 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -8.728 0.536 -3.344 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.676 0.408 -4.001 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -3.196 2.439 3.478 0.00 0.00 +0.019 C ATOM 41 C LIG 1 -4.102 1.731 4.460 0.00 0.00 +0.009 C ATOM 42 C LIG 1 -2.615 1.651 4.630 0.00 0.00 +0.009 C ENDBRANCH 3 40 TORSDOF 10