REMARK Name = BDB022185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.664 -0.859 -1.106 0.00 0.00 +0.083 C ATOM 2 C LIG 1 -0.615 -1.681 -0.312 0.00 0.00 +0.171 C ATOM 3 C LIG 1 -0.441 -3.111 -0.898 0.00 0.00 +0.240 C ATOM 4 O LIG 1 0.653 -3.671 -0.998 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 -1.592 -3.788 -1.243 0.00 0.00 -0.269 N ATOM 6 H LIG 1 -1.500 -4.761 -1.509 0.00 0.00 +0.156 HD ATOM 7 C LIG 1 -2.748 -3.078 -1.453 0.00 0.00 +0.127 A ATOM 8 N LIG 1 -3.968 -3.568 -1.810 0.00 0.00 -0.253 N ATOM 9 C LIG 1 -4.364 -4.944 -1.980 0.00 0.00 +0.174 C ATOM 10 N LIG 1 -4.869 -2.594 -2.038 0.00 0.00 -0.175 NA ATOM 11 C LIG 1 -4.200 -1.453 -1.810 0.00 0.00 +0.066 A ATOM 12 C LIG 1 -4.888 -0.153 -2.017 0.00 0.00 +0.068 C ATOM 13 C LIG 1 -2.860 -1.708 -1.408 0.00 0.00 +0.025 A ENDROOT BRANCH 1 17 ATOM 14 C LIG 1 -2.959 2.729 0.980 0.00 0.00 -0.048 A ATOM 15 C LIG 1 -3.131 1.474 1.572 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -2.724 0.312 0.910 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -2.134 0.379 -0.362 0.00 0.00 -0.038 A ATOM 18 C LIG 1 -1.952 1.644 -0.944 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -2.360 2.804 -0.282 0.00 0.00 +0.004 A BRANCH 14 21 ATOM 20 C LIG 1 -2.256 4.536 2.571 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -3.378 3.981 1.706 0.00 0.00 +0.032 C ENDBRANCH 14 21 ENDBRANCH 1 17 BRANCH 2 22 ATOM 22 N LIG 1 0.695 -1.018 -0.279 0.00 0.00 -0.299 N ATOM 23 H LIG 1 1.253 -1.100 -1.120 0.00 0.00 +0.150 HD ATOM 24 C LIG 1 1.385 -0.892 0.909 0.00 0.00 +0.245 C ATOM 25 O LIG 1 0.913 -1.177 2.003 0.00 0.00 -0.270 OA BRANCH 24 26 ATOM 26 C LIG 1 2.789 -0.408 0.807 0.00 0.00 +0.040 A ATOM 27 C LIG 1 3.222 0.396 -0.250 0.00 0.00 +0.062 A ATOM 28 C LIG 1 4.556 0.825 -0.323 0.00 0.00 +0.162 A ATOM 29 C LIG 1 5.462 0.493 0.702 0.00 0.00 +0.162 A ATOM 30 C LIG 1 5.015 -0.307 1.763 0.00 0.00 +0.050 A ATOM 31 C LIG 1 3.690 -0.753 1.816 0.00 0.00 +0.017 A BRANCH 28 32 ATOM 32 O LIG 1 4.808 1.604 -1.425 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 6.113 1.506 -1.983 0.00 0.00 +0.277 C ENDBRANCH 28 32 BRANCH 29 34 ATOM 34 O LIG 1 6.733 0.995 0.618 0.00 0.00 -0.491 OA ATOM 35 C LIG 1 7.610 0.777 1.715 0.00 0.00 +0.277 C ENDBRANCH 29 34 ENDBRANCH 24 26 ENDBRANCH 2 22 TORSDOF 6