REMARK Name = BDB025710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.588 -0.718 0.410 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.844 0.351 -0.141 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.546 0.251 -0.276 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.237 -0.911 0.117 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.474 -1.958 0.658 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.070 -3.098 1.041 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.909 -1.873 0.805 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.805 0.013 -0.544 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.218 -1.396 -0.345 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.573 -2.073 0.928 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.865 -1.706 1.488 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.489 -2.034 1.929 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.556 -0.806 1.856 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.995 -0.588 0.498 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.678 -1.361 -0.574 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.696 -1.013 -0.035 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.383 -0.553 -1.141 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.724 -0.628 -1.305 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.446 -1.190 -0.324 0.00 0.00 +0.218 A ATOM 20 N LIG 1 4.876 -1.672 0.792 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.532 -1.575 0.909 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.812 -1.303 -0.476 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.584 -1.682 0.710 0.00 0.00 +0.136 C ATOM 24 C LIG 1 9.079 -1.721 0.359 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.596 -0.464 -0.106 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 8.608 0.356 -0.752 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.492 -0.442 -1.447 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.593 1.494 -0.498 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.578 1.387 -0.261 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.173 2.579 -1.233 0.00 0.00 +0.252 C ATOM 31 O LIG 1 -0.083 2.687 -1.782 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.181 3.620 -1.388 0.00 0.00 +0.086 A ATOM 33 C LIG 1 -3.143 4.133 -0.464 0.00 0.00 +0.177 A ATOM 34 N LIG 1 -3.891 5.103 -1.033 0.00 0.00 -0.169 NA ATOM 35 N LIG 1 -3.373 5.249 -2.261 0.00 0.00 -0.283 N ATOM 36 H LIG 1 -3.769 5.958 -2.871 0.00 0.00 +0.188 HD ATOM 37 C LIG 1 -2.349 4.395 -2.520 0.00 0.00 +0.118 A BRANCH 33 38 ATOM 38 C LIG 1 -3.323 3.706 0.967 0.00 0.00 +0.437 C ATOM 39 F LIG 1 -3.821 2.442 1.038 0.00 0.00 -0.164 F ATOM 40 F LIG 1 -4.169 4.497 1.677 0.00 0.00 -0.164 F ATOM 41 F LIG 1 -2.143 3.693 1.643 0.00 0.00 -0.164 F ENDBRANCH 33 38 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6