REMARK Name = BDB019404 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.273 -1.664 1.846 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.652 -1.773 2.351 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -2.710 -1.180 1.640 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -3.646 -1.854 1.198 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -1.833 -3.203 2.615 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -0.929 -3.934 1.597 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -0.182 -2.818 0.852 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 0.440 -0.046 0.110 0.00 0.00 -0.310 N ATOM 9 H LIG 1 -0.198 -0.514 -0.525 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.371 -0.323 1.455 0.00 0.00 +0.234 C ATOM 11 O LIG 1 0.714 0.486 2.318 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 0.947 1.222 -0.371 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 5.134 0.878 -1.427 0.00 0.00 -0.018 A ATOM 14 C LIG 1 4.134 0.661 -2.385 0.00 0.00 +0.009 A ATOM 15 C LIG 1 2.782 0.771 -2.047 0.00 0.00 +0.006 A ATOM 16 C LIG 1 2.403 1.114 -0.744 0.00 0.00 -0.030 A ATOM 17 C LIG 1 3.400 1.326 0.219 0.00 0.00 +0.006 A ATOM 18 C LIG 1 4.750 1.216 -0.122 0.00 0.00 +0.009 A BRANCH 13 21 ATOM 19 C LIG 1 6.552 -1.764 -1.524 0.00 0.00 +0.046 C ATOM 20 C LIG 1 7.228 -0.462 -1.837 0.00 0.00 -0.025 A ATOM 21 C LIG 1 6.553 0.771 -1.787 0.00 0.00 -0.012 A ATOM 22 C LIG 1 7.266 1.934 -2.106 0.00 0.00 +0.028 A ATOM 23 C LIG 1 8.598 1.830 -2.464 0.00 0.00 +0.111 A ATOM 24 N LIG 1 9.263 0.661 -2.533 0.00 0.00 -0.263 NA ATOM 25 C LIG 1 8.565 -0.452 -2.223 0.00 0.00 +0.114 A ENDBRANCH 13 21 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 26 ATOM 26 O LIG 1 0.031 -4.751 2.263 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 -0.452 -5.458 2.724 0.00 0.00 +0.210 HD ENDBRANCH 6 26 BRANCH 3 28 ATOM 28 C LIG 1 -2.719 0.372 1.532 0.00 0.00 +0.165 C BRANCH 28 29 ATOM 29 N LIG 1 -3.628 0.784 0.458 0.00 0.00 -0.281 N ATOM 30 C LIG 1 -3.248 0.614 -0.873 0.00 0.00 +0.248 C ATOM 31 O LIG 1 -2.146 0.327 -1.308 0.00 0.00 -0.270 OA ATOM 32 C LIG 1 -4.452 0.792 -1.689 0.00 0.00 +0.042 A ATOM 33 C LIG 1 -5.535 0.951 -0.828 0.00 0.00 -0.018 A ATOM 34 C LIG 1 -6.808 1.131 -1.338 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -6.967 1.145 -2.729 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.862 0.981 -3.585 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -4.581 0.799 -3.065 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -5.077 0.866 0.590 0.00 0.00 +0.144 C ENDBRANCH 28 29 BRANCH 28 39 ATOM 39 C LIG 1 -2.881 1.059 2.908 0.00 0.00 +0.012 C ATOM 40 C LIG 1 -4.123 0.653 3.704 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -2.788 2.583 2.793 0.00 0.00 +0.009 C ENDBRANCH 28 39 ENDBRANCH 3 28 TORSDOF 8