REMARK Name = BDB049076 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.776 -2.768 -0.206 0.00 0.00 +0.044 C ATOM 2 C LIG 1 0.624 -1.427 0.453 0.00 0.00 -0.038 A ATOM 3 C LIG 1 1.692 -0.809 1.121 0.00 0.00 +0.040 A ATOM 4 C LIG 1 1.526 0.426 1.757 0.00 0.00 +0.013 A ATOM 5 C LIG 1 0.287 1.065 1.720 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.799 0.475 1.059 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.616 -0.771 0.430 0.00 0.00 +0.008 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 3.020 -1.457 1.190 0.00 0.00 +0.247 C ATOM 9 N LIG 1 4.041 -0.935 0.404 0.00 0.00 -0.295 N ATOM 10 C LIG 1 3.850 0.111 -0.613 0.00 0.00 +0.127 C ATOM 11 C LIG 1 4.963 0.131 -1.669 0.00 0.00 +0.127 C ATOM 12 N LIG 1 6.296 0.190 -1.067 0.00 0.00 -0.298 N ATOM 13 C LIG 1 7.282 0.942 -1.687 0.00 0.00 +0.219 C ATOM 14 O LIG 1 7.111 1.553 -2.736 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 6.492 -0.543 0.188 0.00 0.00 +0.127 C ATOM 16 C LIG 1 5.369 -1.544 0.486 0.00 0.00 +0.127 C ATOM 17 O LIG 1 3.160 -2.417 1.942 0.00 0.00 -0.270 OA BRANCH 13 18 ATOM 18 C LIG 1 8.609 1.002 -1.010 0.00 0.00 +0.075 C ATOM 19 C LIG 1 9.630 -0.088 -1.244 0.00 0.00 +0.013 C ATOM 20 C LIG 1 9.862 1.277 -1.813 0.00 0.00 +0.013 C ENDBRANCH 13 18 ENDBRANCH 3 8 BRANCH 6 21 ATOM 21 C LIG 1 -2.147 1.182 1.037 0.00 0.00 +0.051 C ATOM 22 C LIG 1 -3.289 0.383 1.733 0.00 0.00 +0.079 C ATOM 23 C LIG 1 -4.473 0.531 0.754 0.00 0.00 +0.104 C ATOM 24 N LIG 1 -3.808 0.518 -0.553 0.00 0.00 -0.296 NA ATOM 25 C LIG 1 -2.668 1.427 -0.397 0.00 0.00 +0.094 C BRANCH 22 26 ATOM 26 N LIG 1 -3.625 0.688 3.143 0.00 0.00 -0.304 NA ATOM 27 C LIG 1 -2.583 0.214 4.056 0.00 0.00 +0.104 C ATOM 28 C LIG 1 -3.942 2.085 3.423 0.00 0.00 +0.104 C ENDBRANCH 22 26 BRANCH 24 29 ATOM 29 C LIG 1 -4.675 0.891 -1.673 0.00 0.00 +0.122 C BRANCH 29 30 ATOM 30 C LIG 1 -5.674 -0.190 -2.028 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.202 -1.344 -2.676 0.00 0.00 +0.128 A ATOM 32 F LIG 1 -3.903 -1.451 -2.995 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -6.051 -2.390 -3.022 0.00 0.00 +0.039 A ATOM 34 C LIG 1 -7.405 -2.303 -2.724 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -7.901 -1.165 -2.087 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -7.052 -0.100 -1.734 0.00 0.00 -0.043 A ATOM 37 C LIG 1 -7.651 1.105 -1.062 0.00 0.00 +0.044 C ENDBRANCH 29 30 ENDBRANCH 24 29 ENDBRANCH 6 21 TORSDOF 6