REMARK Name = BDB006339 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.286 0.454 1.443 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.806 1.742 1.175 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.762 1.912 0.241 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.070 3.057 -0.261 0.00 0.00 -0.022 A ATOM 5 C LIG 1 0.863 2.606 -1.183 0.00 0.00 +0.020 A ATOM 6 N LIG 1 0.777 1.228 -1.230 0.00 0.00 -0.339 N ATOM 7 C LIG 1 1.837 3.388 -1.999 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -0.310 4.475 0.128 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.219 0.782 -0.377 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.675 -0.517 -0.084 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -1.713 -0.664 0.840 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 -4.503 -0.409 2.087 0.00 0.00 -0.305 N ATOM 13 H LIG 1 -5.186 -0.406 2.835 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 -3.378 0.300 2.426 0.00 0.00 +0.245 C ATOM 15 O LIG 1 -3.274 0.804 3.540 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -5.043 -0.626 0.740 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 C LIG 1 -5.909 -1.884 0.697 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -6.970 -2.037 -0.211 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -7.715 -3.219 -0.264 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -7.403 -4.282 0.579 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.340 -4.167 1.467 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.596 -2.985 1.518 0.00 0.00 +0.005 A ENDBRANCH 16 17 BRANCH 16 24 ATOM 23 C LIG 1 -6.875 1.170 1.074 0.00 0.00 +0.006 C ATOM 24 C LIG 1 -5.699 0.682 0.233 0.00 0.00 +0.024 C ENDBRANCH 16 24 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 1.586 0.358 -2.088 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.002 0.183 -1.591 0.00 0.00 -0.028 A ATOM 27 C LIG 1 4.074 0.302 -2.488 0.00 0.00 +0.006 A ATOM 28 C LIG 1 5.390 0.114 -2.057 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.669 -0.211 -0.722 0.00 0.00 -0.017 A ATOM 30 C LIG 1 4.597 -0.341 0.171 0.00 0.00 +0.009 A ATOM 31 C LIG 1 3.280 -0.154 -0.259 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 7.053 -0.404 -0.264 0.00 0.00 -0.001 A ATOM 33 C LIG 1 7.800 -1.561 -0.566 0.00 0.00 +0.059 A ATOM 34 C LIG 1 9.119 -1.692 -0.101 0.00 0.00 +0.019 A ATOM 35 C LIG 1 9.703 -0.682 0.664 0.00 0.00 +0.001 A ATOM 36 C LIG 1 8.975 0.463 0.970 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.663 0.600 0.512 0.00 0.00 +0.010 A BRANCH 33 38 ATOM 38 C LIG 1 7.242 -2.636 -1.340 0.00 0.00 +0.100 C ATOM 39 N LIG 1 6.821 -3.517 -1.968 0.00 0.00 -0.191 NA ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 8