REMARK Name = BDB017361 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.685 0.037 0.695 0.00 0.00 +0.034 A ATOM 2 C LIG 1 2.054 -0.620 -0.366 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.672 -0.847 -0.348 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.106 -0.444 0.741 0.00 0.00 +0.031 A ATOM 5 C LIG 1 0.524 0.247 1.781 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.908 0.474 1.766 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 4.576 1.315 2.587 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 4.919 0.832 1.513 0.00 0.00 +0.251 C ATOM 9 N LIG 1 4.080 0.223 0.597 0.00 0.00 -0.281 N ATOM 10 H LIG 1 4.505 -0.140 -0.250 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 6.370 0.901 1.153 0.00 0.00 +0.075 A ATOM 12 C LIG 1 6.889 0.375 -0.031 0.00 0.00 +0.170 A ATOM 13 F LIG 1 6.093 -0.234 -0.925 0.00 0.00 -0.202 F ATOM 14 C LIG 1 8.250 0.471 -0.307 0.00 0.00 +0.159 A ATOM 15 F LIG 1 8.736 -0.038 -1.447 0.00 0.00 -0.202 F ATOM 16 C LIG 1 9.120 1.090 0.584 0.00 0.00 +0.041 A ATOM 17 C LIG 1 8.619 1.621 1.770 0.00 0.00 +0.004 A ATOM 18 C LIG 1 7.252 1.526 2.053 0.00 0.00 +0.016 A ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 N LIG 1 -1.510 -0.608 0.759 0.00 0.00 -0.314 N ATOM 20 H LIG 1 -1.893 -0.400 1.680 0.00 0.00 +0.152 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.264 -1.664 0.175 0.00 0.00 +0.044 A ATOM 22 C LIG 1 -3.562 -1.453 -0.344 0.00 0.00 +0.042 A ATOM 23 C LIG 1 -4.260 -2.610 -0.725 0.00 0.00 +0.143 A ATOM 24 N LIG 1 -5.565 -2.516 -1.183 0.00 0.00 -0.307 N ATOM 25 H LIG 1 -6.032 -3.380 -1.414 0.00 0.00 +0.170 HD ATOM 26 C LIG 1 -6.265 -1.359 -1.281 0.00 0.00 +0.254 A ATOM 27 C LIG 1 -5.530 -0.104 -0.946 0.00 0.00 +0.021 A ATOM 28 C LIG 1 -6.329 1.161 -1.130 0.00 0.00 +0.041 C ATOM 29 C LIG 1 -5.658 2.394 -0.532 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -4.177 2.405 -0.870 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -3.482 1.156 -0.317 0.00 0.00 +0.036 C ATOM 32 O LIG 1 -7.436 -1.345 -1.648 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 -3.785 -3.873 -0.660 0.00 0.00 -0.237 NA ATOM 34 C LIG 1 -2.548 -4.029 -0.165 0.00 0.00 +0.115 A ATOM 35 C LIG 1 -4.242 -0.135 -0.534 0.00 0.00 -0.027 A ATOM 36 C LIG 1 -1.771 -2.977 0.275 0.00 0.00 +0.043 A ENDBRANCH 19 21 ENDBRANCH 4 19 TORSDOF 4