REMARK Name = BDB046160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.875 2.611 0.069 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -3.982 1.763 0.212 0.00 0.00 +0.174 A ATOM 3 C LIG 1 -3.946 0.383 0.144 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -5.303 -0.017 0.344 0.00 0.00 +0.121 A ATOM 5 N LIG 1 -6.086 1.057 0.543 0.00 0.00 -0.077 NA ATOM 6 C LIG 1 -2.706 -0.240 -0.069 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -1.564 0.562 -0.216 0.00 0.00 +0.047 A ATOM 8 O LIG 1 -5.261 2.160 0.448 0.00 0.00 -0.354 OA ATOM 9 C LIG 1 -1.637 1.960 -0.143 0.00 0.00 +0.127 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -5.863 -1.366 0.362 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -6.833 -1.714 1.314 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -7.370 -3.003 1.343 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.947 -3.955 0.417 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -5.993 -3.619 -0.541 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.454 -2.329 -0.571 0.00 0.00 +0.010 A ENDBRANCH 4 10 BRANCH 1 16 ATOM 16 C LIG 1 -2.991 4.112 0.162 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -3.469 4.293 2.663 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -2.550 4.683 1.514 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 9 19 ATOM 19 O LIG 1 -0.561 2.800 -0.291 0.00 0.00 -0.491 OA BRANCH 19 20 ATOM 20 C LIG 1 0.759 2.254 -0.249 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 C LIG 1 1.245 1.945 -1.663 0.00 0.00 +0.082 C BRANCH 21 22 ATOM 22 C LIG 1 2.657 1.374 -1.667 0.00 0.00 +0.232 C BRANCH 22 23 ATOM 23 O LIG 1 2.642 0.130 -0.969 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 3.831 -0.534 -0.852 0.00 0.00 +0.121 A ATOM 25 C LIG 1 3.766 -1.723 -0.124 0.00 0.00 +0.046 A ATOM 26 C LIG 1 4.910 -2.503 0.074 0.00 0.00 +0.011 A ATOM 27 C LIG 1 6.139 -2.111 -0.467 0.00 0.00 -0.025 A ATOM 28 C LIG 1 6.202 -0.910 -1.185 0.00 0.00 +0.011 A ATOM 29 C LIG 1 5.055 -0.129 -1.381 0.00 0.00 +0.046 A BRANCH 27 30 ATOM 30 C LIG 1 7.322 -2.945 -0.214 0.00 0.00 +0.015 C ATOM 31 C LIG 1 8.326 -3.110 -1.088 0.00 0.00 +0.092 C BRANCH 31 32 ATOM 32 C LIG 1 9.457 -3.978 -0.739 0.00 0.00 +0.330 C ATOM 33 O LIG 1 9.618 -4.612 0.286 0.00 0.00 -0.246 OA BRANCH 32 34 ATOM 34 O LIG 1 10.350 -3.995 -1.741 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 11.054 -4.594 -1.415 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 9 19 TORSDOF 12