REMARK Name = BDB025198 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.004 1.019 -0.810 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.102 -0.044 -0.627 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.635 -1.406 -0.843 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.595 -1.819 0.285 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.569 -2.504 -0.981 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.367 -1.991 -1.745 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.806 -0.834 -0.971 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.420 -0.654 -0.789 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.388 -1.433 -1.227 0.00 0.00 -0.228 NA ATOM 10 C LIG 1 -0.735 -0.889 -0.783 0.00 0.00 +0.152 A ATOM 11 N LIG 1 -0.451 0.293 -0.112 0.00 0.00 -0.321 N ATOM 12 C LIG 1 0.934 0.428 -0.075 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.793 1.368 0.506 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.171 1.190 0.316 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.691 0.123 -0.427 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.211 0.862 -0.980 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.346 1.276 0.496 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.800 0.881 1.906 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.568 2.022 2.562 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.732 2.548 1.711 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.807 2.012 0.279 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.458 1.828 -0.412 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -5.053 2.336 2.430 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -5.772 3.257 2.792 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.383 1.047 2.654 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.781 0.365 2.275 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.333 3.327 -1.103 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.425 2.253 -0.857 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.092 -1.514 -1.070 0.00 0.00 +0.238 C ATOM 30 C LIG 1 -1.904 -3.003 -1.405 0.00 0.00 +0.060 C BRANCH 29 31 ATOM 31 O LIG 1 -2.898 -1.383 0.097 0.00 0.00 -0.464 OA BRANCH 31 32 ATOM 32 C LIG 1 -4.245 -1.564 0.000 0.00 0.00 +0.234 A ATOM 33 N LIG 1 -4.875 -1.386 1.190 0.00 0.00 -0.219 NA ATOM 34 C LIG 1 -6.221 -1.574 1.183 0.00 0.00 +0.134 A ATOM 35 C LIG 1 -6.928 -1.872 0.034 0.00 0.00 +0.130 A ATOM 36 N LIG 1 -6.320 -2.006 -1.163 0.00 0.00 -0.256 NA ATOM 37 C LIG 1 -4.971 -1.849 -1.152 0.00 0.00 +0.177 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7