REMARK Name = BDB000073 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.427 -0.538 0.258 0.00 0.00 -0.313 N ATOM 2 H LIG 1 -0.271 0.474 0.211 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.837 -0.128 0.329 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.741 -0.897 -0.125 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.990 -2.023 -0.931 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.291 -2.406 -1.292 0.00 0.00 +0.041 A ATOM 7 N LIG 1 -3.546 -3.536 -2.128 0.00 0.00 -0.274 N ATOM 8 C LIG 1 -4.831 -4.047 -2.308 0.00 0.00 +0.220 C ATOM 9 C LIG 1 -5.907 -3.473 -1.418 0.00 0.00 +0.101 C ATOM 10 C LIG 1 -5.761 -1.975 -1.280 0.00 0.00 +0.046 C ATOM 11 O LIG 1 -5.096 -4.976 -3.073 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -2.445 -4.182 -2.827 0.00 0.00 +0.138 C ATOM 13 C LIG 1 -4.368 -1.636 -0.838 0.00 0.00 -0.025 A ATOM 14 C LIG 1 -4.138 -0.503 -0.046 0.00 0.00 +0.016 A BRANCH 3 20 ATOM 15 C LIG 1 -2.522 3.429 1.503 0.00 0.00 +0.215 A ATOM 16 N LIG 1 -2.305 3.318 2.831 0.00 0.00 -0.218 NA ATOM 17 C LIG 1 -2.264 2.061 3.329 0.00 0.00 +0.153 A ATOM 18 C LIG 1 -2.432 0.921 2.562 0.00 0.00 +0.149 A ATOM 19 F LIG 1 -2.384 -0.285 3.147 0.00 0.00 -0.203 F ATOM 20 C LIG 1 -2.657 1.050 1.190 0.00 0.00 +0.026 A ATOM 21 C LIG 1 -2.703 2.343 0.656 0.00 0.00 +0.078 A BRANCH 15 23 ATOM 22 C LIG 1 -2.364 5.740 1.834 0.00 0.00 +0.279 C ATOM 23 O LIG 1 -2.583 4.675 0.914 0.00 0.00 -0.480 OA ENDBRANCH 15 23 ENDBRANCH 3 20 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 C LIG 1 0.756 -1.279 0.376 0.00 0.00 +0.044 A ATOM 25 C LIG 1 1.996 -0.671 0.240 0.00 0.00 +0.071 A ATOM 26 C LIG 1 2.331 0.729 -0.013 0.00 0.00 +0.256 C ATOM 27 N LIG 1 3.696 0.812 -0.066 0.00 0.00 -0.222 N ATOM 28 C LIG 1 4.275 -0.409 0.137 0.00 0.00 +0.255 C ATOM 29 O LIG 1 5.454 -0.703 0.137 0.00 0.00 -0.270 OA ATOM 30 O LIG 1 1.502 1.615 -0.114 0.00 0.00 -0.269 OA ATOM 31 C LIG 1 3.189 -1.365 0.340 0.00 0.00 +0.051 A ATOM 32 C LIG 1 3.230 -2.720 0.590 0.00 0.00 +0.014 A ATOM 33 C LIG 1 2.005 -3.369 0.751 0.00 0.00 +0.003 A ATOM 34 C LIG 1 0.788 -2.656 0.649 0.00 0.00 +0.024 A BRANCH 27 35 ATOM 35 C LIG 1 4.412 2.052 -0.332 0.00 0.00 +0.171 C ATOM 36 C LIG 1 5.213 1.899 -1.624 0.00 0.00 +0.240 C ATOM 37 O LIG 1 4.705 1.519 -2.679 0.00 0.00 -0.273 OA ATOM 38 N LIG 1 6.557 2.167 -1.555 0.00 0.00 -0.255 N ATOM 39 H LIG 1 7.064 2.054 -2.423 0.00 0.00 +0.158 HD ATOM 40 C LIG 1 7.345 2.132 -0.435 0.00 0.00 +0.219 C ATOM 41 O LIG 1 8.570 2.108 -0.531 0.00 0.00 -0.275 OA ATOM 42 C LIG 1 6.646 2.060 0.900 0.00 0.00 +0.098 C ATOM 43 C LIG 1 5.227 2.595 0.839 0.00 0.00 +0.041 C ENDBRANCH 27 35 ENDBRANCH 1 24 TORSDOF 5