REMARK Name = BDB010150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.053 -1.206 -0.646 0.00 0.00 +0.148 A ATOM 2 C LIG 1 -0.676 -1.095 -0.833 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.095 -2.241 -0.956 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.403 -1.947 -1.203 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.478 -0.638 -1.185 0.00 0.00 +0.199 A ATOM 6 N LIG 1 -0.389 -3.490 -0.861 0.00 0.00 -0.214 NA ATOM 7 C LIG 1 -1.698 -3.509 -0.616 0.00 0.00 +0.225 A ATOM 8 N LIG 1 0.247 -0.071 -0.900 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -2.532 -2.458 -0.509 0.00 0.00 -0.219 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -2.898 -0.104 -0.624 0.00 0.00 -0.324 N ATOM 11 H LIG 1 -2.677 0.506 -1.410 0.00 0.00 +0.148 HD BRANCH 10 13 ATOM 12 C LIG 1 -4.728 -0.827 0.902 0.00 0.00 +0.028 C ATOM 13 C LIG 1 -4.354 -0.252 -0.464 0.00 0.00 +0.072 C BRANCH 13 14 ATOM 14 C LIG 1 -5.040 -0.932 -1.659 0.00 0.00 +0.009 C ATOM 15 C LIG 1 -6.587 -0.767 -1.761 0.00 0.00 +0.005 C ATOM 16 C LIG 1 -6.612 -2.127 -2.482 0.00 0.00 +0.001 C ATOM 17 C LIG 1 -5.307 -2.467 -1.734 0.00 0.00 +0.005 C ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 5 18 ATOM 18 N LIG 1 2.585 0.098 -1.400 0.00 0.00 -0.306 N ATOM 19 H LIG 1 2.616 1.106 -1.311 0.00 0.00 +0.150 HD BRANCH 18 20 ATOM 20 CA LIG 1 3.903 -0.540 -1.359 0.00 0.00 +0.129 C BRANCH 20 21 ATOM 21 C LIG 1 4.753 0.261 -0.377 0.00 0.00 -0.025 A ATOM 22 C LIG 1 4.563 0.041 1.001 0.00 0.00 +0.005 A ATOM 23 C LIG 1 5.264 0.781 1.953 0.00 0.00 +0.000 A ATOM 24 C LIG 1 6.160 1.762 1.544 0.00 0.00 +0.000 A ATOM 25 C LIG 1 6.363 1.995 0.185 0.00 0.00 +0.000 A ATOM 26 C LIG 1 5.663 1.252 -0.771 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 C LIG 1 4.446 -0.665 -2.801 0.00 0.00 +0.182 C BRANCH 27 28 ATOM 28 O LIG 1 5.688 -1.367 -2.870 0.00 0.00 -0.393 OA ATOM 29 H LIG 1 5.543 -2.244 -2.476 0.00 0.00 +0.209 HD ENDBRANCH 27 28 ENDBRANCH 20 27 ENDBRANCH 18 20 ENDBRANCH 5 18 BRANCH 8 30 ATOM 30 C LIG 1 0.006 1.339 -0.641 0.00 0.00 +0.160 C BRANCH 30 31 ATOM 31 C LIG 1 0.235 1.698 0.809 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -0.786 1.531 1.759 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -0.572 1.850 3.103 0.00 0.00 +0.013 A ATOM 34 C LIG 1 0.669 2.335 3.535 0.00 0.00 +0.055 A ATOM 35 C LIG 1 1.692 2.490 2.594 0.00 0.00 +0.013 A ATOM 36 C LIG 1 1.476 2.183 1.246 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 0.901 2.643 4.994 0.00 0.00 +0.417 C ATOM 38 F LIG 1 2.047 3.343 5.225 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -0.103 3.382 5.542 0.00 0.00 -0.166 F ATOM 40 F LIG 1 0.994 1.517 5.756 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 11