REMARK Name = BDB018984 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.194 0.614 -0.174 0.00 0.00 -0.006 A ATOM 2 C LIG 1 3.133 0.131 -0.954 0.00 0.00 +0.027 A ATOM 3 C LIG 1 1.833 0.130 -0.407 0.00 0.00 +0.033 A ATOM 4 C LIG 1 1.551 0.603 0.887 0.00 0.00 +0.038 A ATOM 5 N LIG 1 0.233 0.591 1.403 0.00 0.00 -0.300 N ATOM 6 C LIG 1 -0.017 1.432 2.584 0.00 0.00 +0.111 C ATOM 7 C LIG 1 1.089 1.240 3.612 0.00 0.00 +0.024 C ATOM 8 C LIG 1 2.416 1.680 3.019 0.00 0.00 +0.038 C ATOM 9 C LIG 1 2.628 1.105 1.642 0.00 0.00 -0.025 A ATOM 10 C LIG 1 3.929 1.113 1.108 0.00 0.00 +0.014 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -0.882 -0.127 0.915 0.00 0.00 +0.036 A ATOM 12 C LIG 1 -0.772 -1.486 0.609 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -1.888 -2.140 0.127 0.00 0.00 +0.072 A ATOM 14 N LIG 1 -2.003 -3.482 -0.256 0.00 0.00 -0.295 N ATOM 15 C LIG 1 -3.310 -3.722 -0.699 0.00 0.00 +0.330 A ATOM 16 N LIG 1 -4.003 -2.494 -0.580 0.00 0.00 -0.295 N ATOM 17 C LIG 1 -5.380 -2.356 -0.944 0.00 0.00 +0.154 C ATOM 18 O LIG 1 -3.760 -4.781 -1.108 0.00 0.00 -0.246 OA ATOM 19 C LIG 1 -0.943 -4.448 -0.223 0.00 0.00 +0.154 C ATOM 20 C LIG 1 -3.131 -1.508 -0.062 0.00 0.00 +0.073 A ATOM 21 C LIG 1 -3.293 -0.160 0.247 0.00 0.00 -0.017 A ATOM 22 C LIG 1 -2.134 0.508 0.723 0.00 0.00 +0.029 A BRANCH 21 23 ATOM 23 C LIG 1 -4.577 0.626 0.058 0.00 0.00 +0.025 C ATOM 24 C LIG 1 -4.549 1.381 -1.281 0.00 0.00 +0.036 C ATOM 25 C LIG 1 -5.673 2.405 -1.326 0.00 0.00 +0.160 C ATOM 26 O LIG 1 -5.606 3.380 -0.286 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -4.787 3.038 0.828 0.00 0.00 +0.160 C ATOM 28 C LIG 1 -4.933 1.575 1.225 0.00 0.00 +0.036 C ENDBRANCH 21 23 ENDBRANCH 5 11 BRANCH 1 33 ATOM 29 C LIG 1 8.649 -0.789 -1.827 0.00 0.00 +0.172 C ATOM 30 N LIG 1 7.528 -0.005 -1.367 0.00 0.00 -0.274 N ATOM 31 N LIG 1 7.657 1.330 -1.248 0.00 0.00 -0.179 NA ATOM 32 C LIG 1 6.462 1.722 -0.796 0.00 0.00 +0.142 A ATOM 33 C LIG 1 5.561 0.645 -0.650 0.00 0.00 +0.020 A ATOM 34 C LIG 1 6.293 -0.465 -1.014 0.00 0.00 +0.116 A ENDBRANCH 1 33 BRANCH 2 35 ATOM 35 C LIG 1 3.336 -0.393 -2.354 0.00 0.00 +0.372 C ATOM 36 F LIG 1 3.821 -1.667 -2.369 0.00 0.00 -0.204 F ATOM 37 F LIG 1 2.179 -0.442 -3.080 0.00 0.00 -0.204 F ENDBRANCH 2 35 TORSDOF 4