REMARK Name = BDB045093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.463 -0.130 -0.666 0.00 0.00 +0.089 C ATOM 2 C LIG 1 -2.632 -1.599 -0.940 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -3.696 -2.354 -0.392 0.00 0.00 +0.148 A ATOM 4 N LIG 1 -3.659 -3.630 -0.758 0.00 0.00 -0.158 NA ATOM 5 N LIG 1 -2.571 -3.697 -1.550 0.00 0.00 -0.283 N ATOM 6 H LIG 1 -2.328 -4.595 -1.956 0.00 0.00 +0.188 HD ATOM 7 N LIG 1 -4.609 -1.749 0.394 0.00 0.00 -0.300 N ATOM 8 H LIG 1 -5.393 -2.296 0.734 0.00 0.00 +0.153 HD ATOM 9 C LIG 1 -4.620 -0.375 0.623 0.00 0.00 +0.031 C ATOM 10 C LIG 1 -5.790 0.193 1.400 0.00 0.00 +0.132 C ATOM 11 N LIG 1 -6.037 1.611 1.143 0.00 0.00 -0.304 NA ATOM 12 H LIG 1 -6.387 1.718 0.190 0.00 0.00 +0.123 HD ATOM 13 C LIG 1 -4.800 2.391 1.288 0.00 0.00 +0.161 C ATOM 14 C LIG 1 -3.720 1.882 0.342 0.00 0.00 +0.175 C ATOM 15 O LIG 1 -2.931 2.644 -0.214 0.00 0.00 -0.291 OA ATOM 16 C LIG 1 -1.928 -2.502 -1.706 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -3.635 0.414 0.128 0.00 0.00 +0.026 C ENDROOT BRANCH 1 20 ATOM 18 C LIG 1 1.158 0.815 0.117 0.00 0.00 +0.129 A ATOM 19 C LIG 1 -0.074 0.698 -0.528 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -1.130 -0.014 0.067 0.00 0.00 -0.032 A ATOM 21 C LIG 1 -0.919 -0.580 1.339 0.00 0.00 +0.005 A ATOM 22 C LIG 1 0.307 -0.440 1.992 0.00 0.00 +0.004 A ATOM 23 C LIG 1 1.345 0.264 1.386 0.00 0.00 +0.046 A BRANCH 18 24 ATOM 24 O LIG 1 2.130 1.552 -0.520 0.00 0.00 -0.456 OA BRANCH 24 28 ATOM 25 C LIG 1 6.025 0.071 -0.779 0.00 0.00 +0.120 A ATOM 26 C LIG 1 5.778 1.404 -0.446 0.00 0.00 +0.049 A ATOM 27 C LIG 1 4.463 1.873 -0.359 0.00 0.00 +0.050 A ATOM 28 C LIG 1 3.393 1.010 -0.590 0.00 0.00 +0.129 A ATOM 29 C LIG 1 3.633 -0.317 -0.946 0.00 0.00 +0.050 A ATOM 30 C LIG 1 4.947 -0.783 -1.031 0.00 0.00 +0.049 A BRANCH 25 32 ATOM 31 C LIG 1 8.386 0.313 -0.653 0.00 0.00 +0.277 C ATOM 32 O LIG 1 7.255 -0.514 -0.896 0.00 0.00 -0.495 OA ENDBRANCH 25 32 ENDBRANCH 24 28 ENDBRANCH 18 24 ENDBRANCH 1 20 TORSDOF 4