REMARK Name = BDB056131 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.370 -0.892 0.997 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.749 0.211 0.369 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.840 -0.143 1.343 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.719 0.515 2.106 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.746 -0.270 -0.765 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 2.782 1.277 0.800 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 5.188 1.216 0.180 0.00 0.00 +0.230 C ATOM 8 N LIG 1 3.862 1.248 -0.183 0.00 0.00 -0.302 N ATOM 9 H LIG 1 3.590 0.940 -1.111 0.00 0.00 +0.150 HD ATOM 10 O LIG 1 5.556 1.385 1.343 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 6.192 1.053 -0.993 0.00 0.00 +0.137 C ATOM 12 C LIG 1 5.906 -0.196 -1.821 0.00 0.00 +0.034 C BRANCH 11 14 ATOM 13 C LIG 1 8.530 1.683 -1.228 0.00 0.00 +0.101 C ATOM 14 N LIG 1 7.559 0.943 -0.436 0.00 0.00 -0.309 NA ATOM 15 H LIG 1 7.536 1.328 0.516 0.00 0.00 +0.122 HD ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 16 ATOM 16 C LIG 1 2.137 2.675 0.938 0.00 0.00 +0.012 C ATOM 17 C LIG 1 1.599 3.219 -0.390 0.00 0.00 +0.009 C ATOM 18 C LIG 1 3.110 3.683 1.555 0.00 0.00 +0.009 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -1.501 0.146 0.816 0.00 0.00 +0.234 C ATOM 20 N LIG 1 -2.625 -0.350 0.208 0.00 0.00 -0.307 N ATOM 21 H LIG 1 -2.629 -1.340 -0.060 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -1.408 1.304 1.224 0.00 0.00 -0.274 OA BRANCH 20 23 ATOM 23 C LIG 1 -3.832 0.425 -0.007 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -4.638 -0.221 -1.119 0.00 0.00 -0.024 A ATOM 25 C LIG 1 -5.793 -0.981 -0.852 0.00 0.00 -0.042 A ATOM 26 C LIG 1 -6.484 -1.582 -1.916 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -6.026 -1.452 -3.226 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -4.876 -0.715 -3.491 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -6.349 -1.114 0.545 0.00 0.00 +0.035 C ATOM 30 C LIG 1 -5.349 -0.745 1.637 0.00 0.00 +0.007 C ATOM 31 C LIG 1 -4.186 -0.105 -2.445 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -4.641 0.561 1.293 0.00 0.00 +0.027 C ENDBRANCH 20 23 ENDBRANCH 1 19 BRANCH 1 33 ATOM 33 C LIG 1 -0.722 -1.893 2.110 0.00 0.00 +0.033 C BRANCH 33 34 ATOM 34 C LIG 1 -0.746 -3.357 1.641 0.00 0.00 +0.017 C BRANCH 34 35 ATOM 35 C LIG 1 -2.042 -3.789 0.951 0.00 0.00 +0.078 C BRANCH 35 36 ATOM 36 N LIG 1 -2.261 -3.095 -0.314 0.00 0.00 -0.330 NA ATOM 37 H LIG 1 -3.117 -3.458 -0.746 0.00 0.00 +0.118 HD ATOM 38 H LIG 1 -1.516 -3.354 -0.967 0.00 0.00 +0.118 HD ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 12