REMARK Name = BDB026500 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.339 -2.889 -0.236 0.00 0.00 +0.159 C ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 3.274 -2.580 -0.304 0.00 0.00 -0.295 N ATOM 3 C LIG 1 2.041 -2.480 -0.982 0.00 0.00 +0.330 A ATOM 4 O LIG 1 1.830 -2.091 -2.118 0.00 0.00 -0.246 OA ATOM 5 N LIG 1 1.093 -2.919 -0.031 0.00 0.00 -0.297 N ATOM 6 C LIG 1 1.733 -3.194 1.157 0.00 0.00 +0.108 A ATOM 7 C LIG 1 3.048 -2.997 0.991 0.00 0.00 +0.108 A BRANCH 2 8 ATOM 8 C LIG 1 4.542 -2.178 -0.859 0.00 0.00 +0.161 C BRANCH 8 13 ATOM 9 C LIG 1 6.155 3.132 0.923 0.00 0.00 +0.044 C ATOM 10 C LIG 1 5.725 1.764 0.485 0.00 0.00 -0.050 A ATOM 11 C LIG 1 4.707 1.611 -0.463 0.00 0.00 +0.004 A ATOM 12 C LIG 1 4.327 0.339 -0.895 0.00 0.00 +0.005 A ATOM 13 C LIG 1 4.966 -0.804 -0.396 0.00 0.00 -0.028 A ATOM 14 C LIG 1 5.992 -0.649 0.545 0.00 0.00 +0.005 A ATOM 15 C LIG 1 6.372 0.625 0.976 0.00 0.00 +0.004 A ENDBRANCH 8 13 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 16 ATOM 16 C LIG 1 -0.952 -1.528 0.141 0.00 0.00 +0.148 C BRANCH 16 17 ATOM 17 O LIG 1 -1.017 -1.429 1.570 0.00 0.00 -0.389 OA ATOM 18 H LIG 1 -1.187 -0.484 1.742 0.00 0.00 +0.210 HD ENDBRANCH 16 17 BRANCH 16 19 ATOM 19 C LIG 1 -2.360 -1.388 -0.482 0.00 0.00 +0.117 C BRANCH 19 20 ATOM 20 N LIG 1 -3.032 -0.117 -0.137 0.00 0.00 -0.295 NA ATOM 21 C LIG 1 -3.894 0.334 -1.241 0.00 0.00 +0.120 C ATOM 22 C LIG 1 -4.673 1.577 -0.881 0.00 0.00 -0.030 A ATOM 23 C LIG 1 -5.328 1.597 0.360 0.00 0.00 -0.042 A ATOM 24 C LIG 1 -6.118 2.690 0.721 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -6.239 3.773 -0.150 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.584 3.759 -1.383 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -5.173 0.381 1.229 0.00 0.00 +0.051 C ATOM 28 C LIG 1 -4.807 2.661 -1.753 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -3.733 -0.171 1.168 0.00 0.00 +0.089 C ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 1 16 TORSDOF 7