REMARK Name = BDB019144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.652 -1.370 -0.241 0.00 0.00 +0.000 A ATOM 2 C LIG 1 0.509 0.038 -0.139 0.00 0.00 +0.000 A ATOM 3 N LIG 1 -0.773 0.541 -0.211 0.00 0.00 +0.000 N ATOM 4 C LIG 1 -0.676 1.901 -0.057 0.00 0.00 +0.000 A ATOM 5 N LIG 1 0.573 2.297 0.070 0.00 0.00 +0.000 NA ATOM 6 C LIG 1 -1.913 -0.270 -0.396 0.00 0.00 +0.000 A ATOM 7 N LIG 1 -1.764 -1.566 -0.479 0.00 0.00 +0.000 NA ATOM 8 C LIG 1 1.311 1.143 0.020 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -0.485 -2.082 -0.398 0.00 0.00 +0.000 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 2.380 -1.817 -2.647 0.00 0.00 +0.000 C ATOM 11 C LIG 1 2.741 -2.337 -1.285 0.00 0.00 +0.000 A ATOM 12 C LIG 1 1.926 -2.107 -0.168 0.00 0.00 +0.000 A ATOM 13 C LIG 1 2.347 -2.617 1.066 0.00 0.00 +0.000 A ATOM 14 C LIG 1 3.537 -3.332 1.153 0.00 0.00 +0.000 A ATOM 15 C LIG 1 4.271 -3.518 -0.003 0.00 0.00 +0.000 A ATOM 16 N LIG 1 3.904 -3.040 -1.211 0.00 0.00 +0.000 NA ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 N LIG 1 -3.153 0.329 -0.479 0.00 0.00 +0.000 N ATOM 18 H LIG 1 -3.178 1.286 -0.812 0.00 0.00 +0.000 HD BRANCH 17 19 ATOM 19 C LIG 1 -4.319 -0.433 -0.891 0.00 0.00 +0.000 C BRANCH 19 20 ATOM 20 C LIG 1 -5.556 0.380 -0.640 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.088 0.548 0.635 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.663 -0.034 1.931 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -6.509 0.821 2.875 0.00 0.00 +0.000 C ATOM 24 O LIG 1 -7.641 1.351 2.146 0.00 0.00 +0.000 OA ATOM 25 C LIG 1 -7.236 1.303 0.838 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -7.903 1.923 -0.199 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -7.377 1.785 -1.484 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -6.218 1.026 -1.692 0.00 0.00 +0.000 A ATOM 29 F LIG 1 -5.737 0.924 -2.939 0.00 0.00 +0.000 F ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 8 30 ATOM 30 C LIG 1 2.728 1.192 0.125 0.00 0.00 +0.000 C ATOM 31 C LIG 1 3.926 1.221 0.199 0.00 0.00 +0.000 C BRANCH 31 32 ATOM 32 SI LIG 1 5.806 1.273 0.293 0.00 0.00 +0.000 Si ATOM 33 C LIG 1 6.333 2.365 1.726 0.00 0.00 +0.000 C ATOM 34 C LIG 1 6.489 -0.453 0.557 0.00 0.00 +0.000 C ATOM 35 C LIG 1 6.501 1.974 -1.303 0.00 0.00 +0.000 C ENDBRANCH 31 32 ENDBRANCH 8 30 TORSDOF 6