REMARK Name = BDB024665 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.502 -1.854 0.058 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.536 -1.527 1.025 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.717 -2.124 2.366 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.903 -1.486 3.108 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.487 -2.043 3.284 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.213 -2.242 2.490 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.153 -1.148 1.463 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.957 -0.462 1.169 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.287 -0.630 1.714 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.084 0.226 1.104 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.375 0.987 0.193 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.938 0.541 0.210 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.088 0.910 -0.493 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.272 0.216 -0.203 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.322 -0.815 0.744 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.539 -2.462 0.314 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.860 2.084 -0.658 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.312 3.291 0.181 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -1.764 4.508 -0.628 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -3.101 4.288 -1.328 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -3.006 3.662 -2.716 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -1.976 2.553 -2.908 0.00 0.00 +0.002 C ATOM 23 C LIG 1 -1.844 1.588 -1.732 0.00 0.00 +0.025 C ENDBRANCH 11 17 BRANCH 1 25 ATOM 24 C LIG 1 6.121 -1.891 -2.209 0.00 0.00 +0.282 C ATOM 25 O LIG 1 5.169 -1.505 -1.218 0.00 0.00 -0.453 OA ENDBRANCH 1 25 BRANCH 10 26 ATOM 26 C LIG 1 -2.549 0.322 1.409 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 -3.250 -1.047 1.303 0.00 0.00 +0.135 C BRANCH 27 28 ATOM 28 C LIG 1 -3.416 -1.494 -0.144 0.00 0.00 -0.033 A ATOM 29 C LIG 1 -4.466 -1.031 -0.953 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -4.566 -1.433 -2.287 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.618 -2.296 -2.830 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -2.566 -2.756 -2.043 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.464 -2.357 -0.710 0.00 0.00 +0.004 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -4.571 -0.975 2.042 0.00 0.00 +0.313 C ATOM 35 O LIG 1 -5.286 0.009 2.164 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -4.950 -2.156 2.570 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -5.819 -1.974 2.984 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 26 27 ENDBRANCH 10 26 TORSDOF 7