REMARK Name = BDB022432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.643 -1.274 -2.972 0.00 0.00 -0.035 A ATOM 2 C LIG 1 1.476 -0.979 -2.241 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.194 -1.096 -2.809 0.00 0.00 -0.016 A ATOM 4 C LIG 1 0.101 -1.516 -4.144 0.00 0.00 +0.008 A ATOM 5 C LIG 1 1.246 -1.804 -4.887 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.507 -1.682 -4.306 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.010 -0.782 -2.029 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -2.072 -1.675 -1.914 0.00 0.00 +0.121 A ATOM 9 N LIG 1 -3.209 -1.442 -1.214 0.00 0.00 -0.240 NA ATOM 10 C LIG 1 -3.330 -0.265 -0.582 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -2.326 0.696 -0.630 0.00 0.00 +0.044 A ATOM 12 C LIG 1 -1.162 0.433 -1.357 0.00 0.00 +0.013 A BRANCH 10 13 ATOM 13 N LIG 1 -4.479 0.045 0.159 0.00 0.00 -0.267 N ATOM 14 H LIG 1 -4.493 0.949 0.603 0.00 0.00 +0.157 HD ATOM 15 C LIG 1 -5.575 -0.774 0.312 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -5.758 -1.890 -0.155 0.00 0.00 -0.270 OA BRANCH 15 17 ATOM 17 C LIG 1 -6.614 -0.131 1.169 0.00 0.00 +0.064 C ATOM 18 C LIG 1 -7.793 -0.737 1.393 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 -8.928 -0.210 2.226 0.00 0.00 +0.111 C BRANCH 19 20 ATOM 20 N LIG 1 -8.584 0.925 3.096 0.00 0.00 -0.305 NA ATOM 21 C LIG 1 -7.898 0.464 4.310 0.00 0.00 +0.104 C ATOM 22 C LIG 1 -9.798 1.654 3.474 0.00 0.00 +0.104 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 4.811 -2.446 -2.403 0.00 0.00 +0.022 C ATOM 24 C LIG 1 4.010 -1.144 -2.298 0.00 0.00 +0.102 C BRANCH 24 25 ATOM 25 C LIG 1 4.840 0.023 -2.849 0.00 0.00 +0.225 C ATOM 26 N LIG 1 5.793 0.651 -2.101 0.00 0.00 -0.268 N ATOM 27 H LIG 1 6.265 1.385 -2.609 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 4.715 0.425 -4.013 0.00 0.00 -0.275 OA BRANCH 26 29 ATOM 29 C LIG 1 6.191 0.456 -0.800 0.00 0.00 +0.147 A ATOM 30 N LIG 1 5.694 -0.448 0.045 0.00 0.00 -0.158 NA ATOM 31 N LIG 1 6.390 -0.272 1.180 0.00 0.00 -0.280 N ATOM 32 H LIG 1 6.184 -0.866 1.976 0.00 0.00 +0.189 HD ATOM 33 C LIG 1 7.310 0.726 1.092 0.00 0.00 +0.041 A ATOM 34 C LIG 1 7.216 1.220 -0.184 0.00 0.00 +0.068 A BRANCH 33 35 ATOM 35 C LIG 1 8.282 1.181 2.199 0.00 0.00 +0.037 C ATOM 36 C LIG 1 8.280 2.624 2.626 0.00 0.00 +0.010 C ATOM 37 C LIG 1 7.726 1.573 3.542 0.00 0.00 +0.010 C ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9