REMARK Name = BDB025735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.808 -0.635 -0.604 0.00 0.00 +0.054 A ATOM 2 C LIG 1 1.058 0.491 -0.173 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.342 0.453 -0.139 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -1.049 -0.696 -0.535 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -0.290 -1.791 -0.972 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -0.900 -2.923 -1.355 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.105 -1.767 -1.011 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 4.819 -2.583 2.272 0.00 0.00 +0.026 C ATOM 9 C LIG 1 4.196 -2.381 0.884 0.00 0.00 +0.071 C ATOM 10 N LIG 1 5.111 -2.802 -0.210 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 5.492 -4.213 -0.122 0.00 0.00 +0.105 C ATOM 12 C LIG 1 4.469 -2.546 -1.520 0.00 0.00 +0.103 C ATOM 13 C LIG 1 3.983 -1.093 -1.716 0.00 0.00 +0.120 C ATOM 14 N LIG 1 3.213 -0.557 -0.576 0.00 0.00 -0.326 N ATOM 15 C LIG 1 3.813 -0.879 0.743 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 -2.518 -0.736 -0.493 0.00 0.00 +0.021 A ATOM 17 C LIG 1 -3.269 -0.200 0.534 0.00 0.00 +0.124 A ATOM 18 N LIG 1 -4.620 -0.219 0.598 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 -5.287 -0.800 -0.411 0.00 0.00 +0.218 A ATOM 20 N LIG 1 -4.654 -1.355 -1.456 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 -3.302 -1.311 -1.473 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 -6.665 -0.858 -0.361 0.00 0.00 -0.295 N ATOM 23 C LIG 1 -7.382 0.074 0.515 0.00 0.00 +0.136 C ATOM 24 C LIG 1 -8.404 0.883 -0.301 0.00 0.00 +0.179 C ATOM 25 O LIG 1 -9.373 0.074 -0.988 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 -8.875 -1.224 -1.355 0.00 0.00 +0.179 C ATOM 27 C LIG 1 -7.357 -1.260 -1.587 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 1.820 1.632 0.164 0.00 0.00 -0.280 N ATOM 29 H LIG 1 2.808 1.485 -0.010 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 1.395 2.837 0.676 0.00 0.00 +0.251 C ATOM 31 O LIG 1 0.237 3.108 0.974 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 2.463 3.811 0.875 0.00 0.00 +0.074 A ATOM 33 C LIG 1 2.302 5.066 1.436 0.00 0.00 +0.121 A ATOM 34 N LIG 1 3.528 5.657 1.441 0.00 0.00 -0.274 N ATOM 35 C LIG 1 3.858 6.974 1.929 0.00 0.00 +0.172 C ATOM 36 N LIG 1 4.494 4.879 0.922 0.00 0.00 -0.179 NA ATOM 37 C LIG 1 3.845 3.765 0.574 0.00 0.00 +0.147 A ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 5