REMARK Name = BDB040170 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.477 0.790 -0.500 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.580 1.673 -0.748 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.625 2.726 -1.357 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.773 1.103 -0.110 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.061 1.609 -0.080 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.039 0.870 0.598 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.685 -0.355 1.217 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.370 -0.855 1.176 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.422 -0.096 0.498 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.033 -0.358 0.278 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.149 0.051 -1.018 0.00 0.00 -0.035 A ATOM 12 C LIG 1 2.791 -0.041 -0.624 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.827 0.944 -0.921 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.252 2.066 -1.634 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.582 2.203 -2.028 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.512 1.210 -1.722 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.212 -1.102 -0.676 0.00 0.00 +0.049 C ATOM 18 C LIG 1 6.209 -1.534 -1.792 0.00 0.00 +0.174 C ATOM 19 O LIG 1 5.999 -2.935 -1.458 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 4.726 -2.572 -0.853 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 5.846 -0.902 0.716 0.00 0.00 +0.092 C BRANCH 21 24 ATOM 22 C LIG 1 8.882 -1.431 1.173 0.00 0.00 +0.151 C ATOM 23 N LIG 1 8.266 -0.153 0.938 0.00 0.00 -0.320 N ATOM 24 C LIG 1 6.935 0.116 0.736 0.00 0.00 +0.134 A ATOM 25 N LIG 1 6.798 1.415 0.568 0.00 0.00 -0.135 NA ATOM 26 N LIG 1 8.040 1.996 0.639 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 8.911 1.042 0.866 0.00 0.00 +0.224 A ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -1.998 -2.160 1.825 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -1.557 -3.076 0.919 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -3.016 -2.756 2.501 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.983 -2.016 2.722 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 -5.469 1.361 0.660 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 -6.335 0.484 -0.128 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 -6.048 0.542 -1.105 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 -7.769 0.753 0.087 0.00 0.00 +0.017 C ATOM 36 C LIG 1 -8.551 -0.367 -0.661 0.00 0.00 +0.022 C ATOM 37 C LIG 1 -8.498 -1.216 0.625 0.00 0.00 +0.004 C ATOM 38 C LIG 1 -8.237 0.085 1.411 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -8.215 2.166 -0.225 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8