REMARK Name = BDB030943 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.368 -1.822 -0.391 0.00 0.00 +0.090 A ATOM 2 C LIG 1 1.907 -2.857 -1.121 0.00 0.00 +0.099 A ATOM 3 C LIG 1 1.216 -3.162 -2.270 0.00 0.00 +0.129 A ATOM 4 N LIG 1 0.111 -2.511 -2.682 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 -0.321 -1.500 -1.920 0.00 0.00 +0.216 A ATOM 6 N LIG 1 0.271 -1.135 -0.782 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.394 2.275 2.491 0.00 0.00 +0.047 A ATOM 8 C LIG 1 3.320 1.056 3.219 0.00 0.00 +0.063 A ATOM 9 C LIG 1 2.809 -0.072 2.534 0.00 0.00 +0.058 A ATOM 10 C LIG 1 2.372 -0.036 1.212 0.00 0.00 +0.009 A ATOM 11 C LIG 1 1.933 -1.352 0.863 0.00 0.00 +0.026 A ATOM 12 C LIG 1 2.081 -2.141 1.985 0.00 0.00 +0.093 A ATOM 13 C LIG 1 2.443 1.184 0.520 0.00 0.00 +0.012 A ATOM 14 N LIG 1 2.629 -1.369 2.974 0.00 0.00 -0.360 N ATOM 15 H LIG 1 2.880 -1.695 3.900 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 2.958 2.317 1.163 0.00 0.00 +0.024 A BRANCH 7 18 ATOM 17 C LIG 1 3.999 4.731 2.811 0.00 0.00 +0.404 C ATOM 18 N LIG 1 3.953 3.401 3.140 0.00 0.00 -0.251 N ATOM 19 H LIG 1 4.463 3.235 4.002 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 4.642 5.515 3.502 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 3.304 6.493 1.439 0.00 0.00 +0.282 C ATOM 22 O LIG 1 3.261 5.097 1.734 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 C LIG 1 3.674 0.984 4.681 0.00 0.00 +0.375 C ATOM 24 F LIG 1 4.797 1.690 4.999 0.00 0.00 -0.204 F ATOM 25 F LIG 1 3.902 -0.287 5.123 0.00 0.00 -0.204 F ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 C LIG 1 3.128 -3.609 -0.743 0.00 0.00 +0.421 C ATOM 27 F LIG 1 4.176 -2.822 -0.381 0.00 0.00 -0.166 F ATOM 28 F LIG 1 2.921 -4.473 0.290 0.00 0.00 -0.166 F ATOM 29 F LIG 1 3.604 -4.385 -1.762 0.00 0.00 -0.166 F ENDBRANCH 2 26 BRANCH 5 30 ATOM 30 N LIG 1 -1.429 -0.772 -2.287 0.00 0.00 -0.309 N ATOM 31 H LIG 1 -1.768 -0.244 -1.489 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 -2.478 -1.440 -3.056 0.00 0.00 +0.087 C ATOM 33 C LIG 1 -3.499 -0.364 -3.506 0.00 0.00 +0.103 C ATOM 34 N LIG 1 -4.284 0.155 -2.378 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 -4.897 0.902 -2.701 0.00 0.00 +0.123 HD ATOM 36 C LIG 1 -5.042 -0.882 -1.656 0.00 0.00 +0.014 C ATOM 37 C LIG 1 -6.548 -0.662 -1.884 0.00 0.00 +0.027 C ATOM 38 C LIG 1 -4.739 -0.685 -0.160 0.00 0.00 +0.027 C ATOM 39 C LIG 1 -4.676 -2.320 -2.096 0.00 0.00 +0.023 C ATOM 40 C LIG 1 -3.167 -2.537 -2.219 0.00 0.00 +0.025 C ENDBRANCH 30 32 ENDBRANCH 5 30 TORSDOF 7