REMARK Name = BDB007885 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.722 0.774 -1.128 0.00 0.00 -0.343 N ATOM 2 C LIG 1 -0.248 0.831 -0.139 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.352 -0.187 0.947 0.00 0.00 +0.064 C ATOM 4 C LIG 1 -1.000 1.984 -0.349 0.00 0.00 +0.057 A ATOM 5 C LIG 1 -0.422 2.653 -1.460 0.00 0.00 +0.035 A ATOM 6 C LIG 1 0.613 1.883 -1.946 0.00 0.00 +0.017 A ATOM 7 C LIG 1 1.500 2.147 -3.112 0.00 0.00 +0.063 C ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -2.124 2.463 0.445 0.00 0.00 +0.246 C ATOM 9 N LIG 1 -3.238 1.665 0.531 0.00 0.00 -0.307 N ATOM 10 H LIG 1 -3.999 2.130 1.009 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -2.118 3.561 0.994 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 -3.591 0.630 -0.416 0.00 0.00 +0.140 C BRANCH 12 13 ATOM 13 C LIG 1 -5.000 0.129 -0.167 0.00 0.00 -0.024 A ATOM 14 C LIG 1 -6.101 0.730 -0.826 0.00 0.00 -0.045 A ATOM 15 C LIG 1 -5.923 1.859 -1.807 0.00 0.00 +0.044 C ATOM 16 C LIG 1 -7.401 0.257 -0.581 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -7.638 -0.780 0.326 0.00 0.00 -0.033 A ATOM 18 C LIG 1 -6.550 -1.359 0.987 0.00 0.00 +0.008 A ATOM 19 C LIG 1 -5.238 -0.912 0.764 0.00 0.00 -0.045 A ATOM 20 C LIG 1 -4.117 -1.571 1.525 0.00 0.00 +0.044 C BRANCH 17 21 ATOM 21 C LIG 1 -9.036 -1.291 0.558 0.00 0.00 +0.113 C BRANCH 21 22 ATOM 22 N LIG 1 -9.367 -2.366 -0.371 0.00 0.00 -0.326 NA ATOM 23 H LIG 1 -9.249 -2.019 -1.323 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 -8.676 -3.108 -0.267 0.00 0.00 +0.119 HD ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 4 8 BRANCH 1 25 ATOM 25 C LIG 1 1.691 -0.314 -1.301 0.00 0.00 +0.156 C BRANCH 25 29 ATOM 26 C LIG 1 5.026 -0.317 1.477 0.00 0.00 -0.026 A ATOM 27 C LIG 1 4.454 -1.514 1.027 0.00 0.00 +0.006 A ATOM 28 C LIG 1 3.376 -1.498 0.139 0.00 0.00 +0.006 A ATOM 29 C LIG 1 2.834 -0.285 -0.312 0.00 0.00 -0.028 A ATOM 30 C LIG 1 3.421 0.911 0.127 0.00 0.00 +0.006 A ATOM 31 C LIG 1 4.499 0.896 1.017 0.00 0.00 +0.006 A BRANCH 26 32 ATOM 32 C LIG 1 6.187 -0.338 2.440 0.00 0.00 +0.178 C BRANCH 32 36 ATOM 33 C LIG 1 10.424 -0.841 -0.218 0.00 0.00 +0.047 C ATOM 34 C LIG 1 9.260 -1.065 0.666 0.00 0.00 -0.013 A ATOM 35 C LIG 1 8.239 -0.192 0.975 0.00 0.00 +0.112 A ATOM 36 N LIG 1 7.396 -0.862 1.819 0.00 0.00 -0.267 N ATOM 37 N LIG 1 7.813 -2.115 2.097 0.00 0.00 -0.179 NA ATOM 38 C LIG 1 8.938 -2.236 1.388 0.00 0.00 +0.137 A ENDBRANCH 32 36 ENDBRANCH 26 32 ENDBRANCH 25 29 ENDBRANCH 1 25 TORSDOF 9