REMARK Name = BDB003305 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.821 -2.301 2.172 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -1.004 -1.226 2.195 0.00 0.00 -0.226 NA ATOM 3 C LIG 1 -1.242 -0.235 1.305 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -2.313 -0.280 0.373 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -3.144 -1.419 0.385 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -4.216 -1.508 -0.515 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -4.472 -0.484 -1.430 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -3.665 0.657 -1.469 0.00 0.00 -0.041 A ATOM 9 C LIG 1 -2.596 0.745 -0.563 0.00 0.00 +0.016 A ATOM 10 C LIG 1 -2.889 -2.443 1.299 0.00 0.00 +0.041 A ENDROOT BRANCH 3 11 ATOM 11 N LIG 1 -0.380 0.897 1.325 0.00 0.00 -0.284 N ATOM 12 C LIG 1 0.944 0.834 0.822 0.00 0.00 +0.039 A ATOM 13 C LIG 1 2.041 1.364 1.523 0.00 0.00 -0.025 A ATOM 14 C LIG 1 3.327 1.326 0.957 0.00 0.00 +0.014 A ATOM 15 C LIG 1 3.556 0.735 -0.293 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.481 0.165 -0.991 0.00 0.00 +0.027 A ATOM 17 C LIG 1 1.865 1.979 2.886 0.00 0.00 +0.038 C ATOM 18 C LIG 1 0.589 1.477 3.542 0.00 0.00 +0.024 C ATOM 19 C LIG 1 1.192 0.233 -0.425 0.00 0.00 +0.033 A ATOM 20 C LIG 1 -0.567 1.659 2.572 0.00 0.00 +0.113 C BRANCH 15 21 ATOM 21 C LIG 1 4.906 0.727 -0.818 0.00 0.00 +0.020 A ATOM 22 C LIG 1 5.979 0.131 -0.191 0.00 0.00 +0.116 A ATOM 23 N LIG 1 7.056 0.342 -1.001 0.00 0.00 -0.274 N ATOM 24 C LIG 1 8.413 -0.092 -0.775 0.00 0.00 +0.172 C ATOM 25 N LIG 1 6.759 1.030 -2.119 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 5.451 1.274 -2.001 0.00 0.00 +0.142 A ENDBRANCH 15 21 BRANCH 16 27 ATOM 27 C LIG 1 2.656 -0.502 -2.331 0.00 0.00 +0.372 C ATOM 28 F LIG 1 1.586 -1.270 -2.695 0.00 0.00 -0.204 F ATOM 29 F LIG 1 2.811 0.398 -3.342 0.00 0.00 -0.204 F ENDBRANCH 16 27 ENDBRANCH 3 11 BRANCH 1 33 ATOM 30 C LIG 1 -1.166 -5.773 3.522 0.00 0.00 +0.128 C ATOM 31 N LIG 1 -1.578 -4.674 2.686 0.00 0.00 -0.313 N ATOM 32 H LIG 1 -1.544 -4.807 1.683 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 -1.520 -3.374 3.171 0.00 0.00 +0.262 C ATOM 34 O LIG 1 -1.234 -3.101 4.331 0.00 0.00 -0.269 OA ENDBRANCH 1 33 BRANCH 8 35 ATOM 35 C LIG 1 -3.910 1.781 -2.446 0.00 0.00 +0.047 C ATOM 36 C LIG 1 -3.879 1.386 -3.920 0.00 0.00 +0.168 C ATOM 37 O LIG 1 -4.718 2.317 -4.625 0.00 0.00 -0.379 OA ATOM 38 C LIG 1 -5.383 3.148 -3.665 0.00 0.00 +0.160 C ATOM 39 C LIG 1 -5.272 2.442 -2.332 0.00 0.00 +0.038 C ENDBRANCH 8 35 TORSDOF 5