REMARK Name = BDB048695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.793 0.611 0.166 0.00 0.00 -0.281 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.092 1.761 0.058 0.00 0.00 +0.291 A ATOM 3 O LIG 1 1.138 1.819 0.664 0.00 0.00 -0.424 OA ATOM 4 C LIG 1 1.596 3.069 0.376 0.00 0.00 +0.157 A ATOM 5 C LIG 1 0.623 3.712 -0.368 0.00 0.00 +0.111 A ATOM 6 C LIG 1 0.854 5.025 -0.798 0.00 0.00 +0.031 A ATOM 7 C LIG 1 2.076 5.627 -0.457 0.00 0.00 +0.002 A ATOM 8 C LIG 1 3.035 4.940 0.301 0.00 0.00 +0.004 A ATOM 9 C LIG 1 2.816 3.628 0.740 0.00 0.00 +0.048 A ATOM 10 N LIG 1 -0.445 2.875 -0.556 0.00 0.00 -0.195 NA ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 -0.280 -0.536 0.898 0.00 0.00 +0.144 C BRANCH 11 14 ATOM 12 C LIG 1 2.828 -1.980 -0.772 0.00 0.00 +0.122 A ATOM 13 C LIG 1 2.007 -1.232 0.072 0.00 0.00 +0.050 A ATOM 14 C LIG 1 0.614 -1.392 0.026 0.00 0.00 -0.027 A ATOM 15 C LIG 1 0.070 -2.338 -0.860 0.00 0.00 +0.005 A ATOM 16 C LIG 1 0.900 -3.112 -1.677 0.00 0.00 +0.004 A ATOM 17 C LIG 1 2.283 -2.938 -1.627 0.00 0.00 +0.046 A BRANCH 12 18 ATOM 18 O LIG 1 4.190 -1.848 -0.736 0.00 0.00 -0.478 OA BRANCH 18 19 ATOM 19 C LIG 1 4.634 -0.573 -1.223 0.00 0.00 +0.281 C BRANCH 19 21 ATOM 20 C LIG 1 7.034 -1.225 -0.595 0.00 0.00 +0.008 C ATOM 21 C LIG 1 5.914 -0.194 -0.461 0.00 0.00 +0.053 C ENDBRANCH 19 21 BRANCH 19 22 ATOM 22 C LIG 1 4.877 -0.587 -2.736 0.00 0.00 +0.346 C ATOM 23 O LIG 1 4.775 -1.532 -3.504 0.00 0.00 -0.247 OA BRANCH 22 24 ATOM 24 O LIG 1 5.225 0.629 -3.218 0.00 0.00 -0.478 OA ATOM 25 H LIG 1 5.318 0.474 -4.183 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 12 18 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 1 26 ATOM 26 C LIG 1 -2.119 0.533 -0.436 0.00 0.00 +0.113 C BRANCH 26 27 ATOM 27 C LIG 1 -3.176 1.109 0.510 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 -4.578 1.021 -0.090 0.00 0.00 +0.230 C BRANCH 28 29 ATOM 29 O LIG 1 -4.919 -0.317 -0.454 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 -5.358 -1.184 0.505 0.00 0.00 +0.123 A ATOM 31 C LIG 1 -5.617 -0.882 1.842 0.00 0.00 +0.078 A ATOM 32 C LIG 1 -6.060 -1.897 2.705 0.00 0.00 +0.130 A ATOM 33 C LIG 1 -6.246 -3.208 2.246 0.00 0.00 +0.033 A ATOM 34 C LIG 1 -5.992 -3.501 0.907 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -5.550 -2.494 0.047 0.00 0.00 +0.046 A BRANCH 32 36 ATOM 36 N LIG 1 -6.337 -1.581 4.114 0.00 0.00 +0.057 N ATOM 37 O LIG 1 -6.795 -2.486 4.828 0.00 0.00 -0.126 OA ATOM 38 O LIG 1 -6.094 -0.428 4.506 0.00 0.00 -0.126 OA ENDBRANCH 32 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 14