REMARK Name = BDB009492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.732 2.392 0.665 0.00 0.00 +0.247 C ATOM 2 N LIG 1 2.538 1.945 1.220 0.00 0.00 -0.295 N ATOM 3 C LIG 1 1.506 2.933 1.534 0.00 0.00 +0.127 C ATOM 4 C LIG 1 0.093 2.339 1.466 0.00 0.00 +0.127 C ATOM 5 N LIG 1 -0.056 1.093 2.234 0.00 0.00 -0.294 N ATOM 6 C LIG 1 -1.247 0.384 2.361 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -1.322 -0.733 2.868 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.178 0.496 2.751 0.00 0.00 +0.127 C ATOM 9 C LIG 1 2.327 0.584 1.735 0.00 0.00 +0.127 C ATOM 10 O LIG 1 3.985 3.576 0.463 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 15 ATOM 11 N LIG 1 7.856 -1.192 -0.520 0.00 0.00 -0.318 N ATOM 12 C LIG 1 6.691 -0.443 -0.414 0.00 0.00 +0.069 A ATOM 13 C LIG 1 6.972 0.510 0.559 0.00 0.00 +0.090 A ATOM 14 C LIG 1 6.004 1.454 0.925 0.00 0.00 +0.043 A ATOM 15 C LIG 1 4.755 1.392 0.297 0.00 0.00 +0.039 A ATOM 16 C LIG 1 4.484 0.444 -0.697 0.00 0.00 +0.015 A ATOM 17 N LIG 1 8.245 0.362 1.027 0.00 0.00 -0.224 NA ATOM 18 C LIG 1 5.451 -0.494 -1.072 0.00 0.00 +0.029 A ATOM 19 C LIG 1 8.778 -0.660 0.370 0.00 0.00 +0.216 A BRANCH 19 20 ATOM 20 C LIG 1 10.172 -1.170 0.568 0.00 0.00 +0.451 C ATOM 21 F LIG 1 10.184 -2.365 1.217 0.00 0.00 -0.163 F ATOM 22 F LIG 1 10.830 -1.357 -0.609 0.00 0.00 -0.163 F ATOM 23 F LIG 1 10.943 -0.326 1.302 0.00 0.00 -0.163 F ENDBRANCH 19 20 BRANCH 11 25 ATOM 24 C LIG 1 8.661 -3.560 -0.914 0.00 0.00 +0.030 C ATOM 25 C LIG 1 8.010 -2.295 -1.473 0.00 0.00 +0.083 C ATOM 26 C LIG 1 8.670 -1.832 -2.774 0.00 0.00 +0.030 C ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 6 27 ATOM 27 C LIG 1 -2.486 0.957 1.807 0.00 0.00 +0.072 A ATOM 28 C LIG 1 -3.067 2.088 2.372 0.00 0.00 +0.135 A ATOM 29 F LIG 1 -2.498 2.707 3.416 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -4.253 2.601 1.857 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -4.874 1.966 0.778 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -4.315 0.807 0.216 0.00 0.00 -0.041 A ATOM 33 C LIG 1 -3.117 0.300 0.745 0.00 0.00 +0.020 A BRANCH 32 34 ATOM 34 C LIG 1 -5.016 0.090 -0.920 0.00 0.00 +0.092 C BRANCH 34 35 ATOM 35 C LIG 1 -6.260 -0.673 -0.462 0.00 0.00 +0.069 A ATOM 36 C LIG 1 -7.562 -0.459 -1.171 0.00 0.00 -0.016 A ATOM 37 C LIG 1 -7.648 0.422 -2.385 0.00 0.00 +0.037 C ATOM 38 C LIG 1 -8.966 0.281 -3.154 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -10.156 0.219 -2.205 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -10.020 -0.962 -1.242 0.00 0.00 +0.041 C ATOM 41 C LIG 1 -8.633 -1.104 -0.676 0.00 0.00 +0.023 A ATOM 42 C LIG 1 -8.485 -2.016 0.486 0.00 0.00 +0.268 A ATOM 43 O LIG 1 -9.442 -2.617 0.962 0.00 0.00 -0.266 OA ATOM 44 N LIG 1 -7.215 -2.156 0.976 0.00 0.00 -0.243 N ATOM 45 H LIG 1 -7.087 -2.773 1.772 0.00 0.00 +0.192 HD ATOM 46 N LIG 1 -6.113 -1.495 0.536 0.00 0.00 -0.175 NA ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 6 27 TORSDOF 6