REMARK Name = BDB024714 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.472 -4.338 -1.082 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.546 -2.945 -0.907 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.803 -2.295 -1.338 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.965 -2.634 -0.389 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.732 -0.765 -1.468 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.388 -0.336 -2.015 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.342 -0.813 -1.050 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.246 -0.009 -0.676 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.932 1.270 -1.066 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.815 1.585 -0.442 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.391 0.534 0.343 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -1.296 -0.495 0.213 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.378 -1.770 0.774 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.469 -2.564 0.394 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.439 -2.119 -0.518 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.429 -5.031 -1.420 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -3.132 -6.269 -1.159 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -3.224 -4.866 -0.917 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 0.807 0.498 1.166 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 1.990 -0.127 0.414 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 3.258 -0.061 1.168 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 3.268 -0.987 2.322 0.00 0.00 +0.103 C ATOM 23 C LIG 1 4.603 -0.960 3.094 0.00 0.00 +0.123 C ATOM 24 N LIG 1 5.764 -1.154 2.224 0.00 0.00 -0.299 N ATOM 25 C LIG 1 7.003 -1.580 2.690 0.00 0.00 +0.213 C ATOM 26 O LIG 1 8.037 -1.465 2.032 0.00 0.00 -0.276 OA ATOM 27 C LIG 1 7.041 -2.222 4.054 0.00 0.00 +0.109 C ATOM 28 C LIG 1 5.748 -0.360 0.995 0.00 0.00 +0.123 C ATOM 29 C LIG 1 4.390 -0.408 0.275 0.00 0.00 +0.103 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -0.087 2.890 -0.543 0.00 0.00 +0.079 C BRANCH 30 31 ATOM 31 C LIG 1 -0.678 3.810 -1.615 0.00 0.00 +0.043 C BRANCH 31 32 ATOM 32 C LIG 1 0.073 5.118 -1.687 0.00 0.00 -0.047 A ATOM 33 C LIG 1 1.186 5.254 -2.527 0.00 0.00 +0.003 A ATOM 34 C LIG 1 1.896 6.455 -2.571 0.00 0.00 +0.000 A ATOM 35 C LIG 1 1.502 7.528 -1.773 0.00 0.00 +0.000 A ATOM 36 C LIG 1 0.399 7.402 -0.931 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -0.312 6.202 -0.886 0.00 0.00 +0.003 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 7