REMARK Name = BDB026112 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.913 -0.683 -0.362 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.189 0.536 -0.406 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.198 0.551 -0.215 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.914 -0.636 0.025 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.180 -1.830 0.059 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.797 -2.998 0.298 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.203 -1.860 -0.130 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.216 -3.555 -2.176 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.429 -2.885 -1.039 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.252 -2.752 0.194 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -5.641 -4.049 0.752 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.498 -1.986 1.214 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -4.079 -0.589 0.723 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.308 -0.638 -0.537 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.906 -1.513 -1.568 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.375 -0.610 0.232 0.00 0.00 -0.015 A ATOM 17 C LIG 1 2.975 0.323 1.086 0.00 0.00 +0.010 A ATOM 18 C LIG 1 4.366 0.352 1.277 0.00 0.00 +0.024 A ATOM 19 C LIG 1 5.225 -0.548 0.633 0.00 0.00 +0.030 A ATOM 20 C LIG 1 4.615 -1.475 -0.224 0.00 0.00 +0.024 A ATOM 21 C LIG 1 3.225 -1.509 -0.422 0.00 0.00 +0.010 A BRANCH 19 22 ATOM 22 N LIG 1 6.599 -0.519 0.813 0.00 0.00 -0.327 N ATOM 23 C LIG 1 7.276 0.624 1.446 0.00 0.00 +0.120 C ATOM 24 C LIG 1 8.769 0.658 1.046 0.00 0.00 +0.100 C ATOM 25 N LIG 1 9.546 -0.554 1.374 0.00 0.00 -0.313 NA ATOM 26 H LIG 1 10.209 -0.718 0.616 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 8.667 -1.728 1.515 0.00 0.00 +0.100 C ATOM 28 C LIG 1 7.409 -1.733 0.616 0.00 0.00 +0.120 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -1.956 1.692 -0.671 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.940 1.466 -0.811 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.518 2.983 -0.829 0.00 0.00 +0.249 C ATOM 32 O LIG 1 -0.374 3.411 -0.773 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.593 3.946 -1.151 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -3.583 4.299 -0.218 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -4.574 5.215 -0.615 0.00 0.00 +0.051 A ATOM 36 C LIG 1 -4.550 5.769 -1.892 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -5.501 6.642 -2.247 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -3.553 5.437 -2.800 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -2.567 4.525 -2.429 0.00 0.00 +0.016 A BRANCH 34 40 ATOM 40 C LIG 1 -3.603 3.721 1.170 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -2.390 3.705 1.779 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.059 2.438 1.181 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.427 4.403 2.016 0.00 0.00 -0.166 F ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6