REMARK Name = BDB024827 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.561 -4.221 -1.715 0.00 0.00 +0.407 C ATOM 2 N LIG 1 2.256 -3.017 -1.505 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.714 -3.040 -1.228 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.514 -3.439 -2.481 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.298 -1.713 -0.717 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.341 -1.038 0.238 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.070 -0.773 -0.514 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.347 0.427 -0.356 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.630 1.518 0.432 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.646 2.373 0.246 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.278 1.864 -0.640 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.159 0.622 -1.046 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -0.371 -0.333 -1.913 0.00 0.00 +0.030 A ATOM 14 C LIG 1 0.347 -1.528 -2.053 0.00 0.00 +0.026 A ATOM 15 C LIG 1 1.547 -1.772 -1.368 0.00 0.00 +0.045 A ATOM 16 O LIG 1 0.354 -4.340 -1.896 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 1.721 -6.566 -1.829 0.00 0.00 +0.282 C ATOM 18 O LIG 1 2.383 -5.313 -1.652 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.532 2.474 -1.051 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -2.757 1.748 -0.521 0.00 0.00 +0.233 C ATOM 21 N LIG 1 -2.672 1.250 0.765 0.00 0.00 -0.314 N ATOM 22 H LIG 1 -1.768 1.208 1.221 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -3.782 1.665 -1.196 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 -3.731 0.437 1.332 0.00 0.00 +0.108 C BRANCH 24 25 ATOM 25 C LIG 1 -3.682 -1.021 0.836 0.00 0.00 +0.010 C ATOM 26 C LIG 1 -4.916 -1.803 1.311 0.00 0.00 +0.033 C ATOM 27 C LIG 1 -4.833 -2.149 2.793 0.00 0.00 +0.160 C ATOM 28 O LIG 1 -3.635 -2.866 3.080 0.00 0.00 -0.380 OA ATOM 29 C LIG 1 -2.459 -2.121 2.770 0.00 0.00 +0.160 C ATOM 30 C LIG 1 -2.413 -1.762 1.290 0.00 0.00 +0.033 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 0.555 3.707 0.910 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 C LIG 1 1.238 4.776 0.068 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 N LIG 1 1.021 6.099 0.617 0.00 0.00 -0.271 N ATOM 34 N LIG 1 -0.193 6.672 0.497 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 -0.040 7.856 1.095 0.00 0.00 +0.134 A ATOM 36 C LIG 1 1.261 8.038 1.599 0.00 0.00 +0.041 A ATOM 37 C LIG 1 1.926 6.880 1.274 0.00 0.00 +0.108 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8