REMARK Name = BDB011148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.854 2.182 0.612 0.00 0.00 -0.261 N ATOM 2 C LIG 1 -2.029 0.805 0.609 0.00 0.00 +0.333 A ATOM 3 O LIG 1 -3.148 0.310 0.761 0.00 0.00 -0.246 OA ATOM 4 N LIG 1 -0.893 0.018 0.366 0.00 0.00 -0.289 N ATOM 5 C LIG 1 0.413 0.614 0.229 0.00 0.00 +0.070 A ATOM 6 C LIG 1 0.457 1.974 -0.045 0.00 0.00 +0.082 A ATOM 7 C LIG 1 1.651 2.553 -0.417 0.00 0.00 +0.127 A ATOM 8 N LIG 1 2.807 1.871 -0.493 0.00 0.00 -0.250 NA ATOM 9 C LIG 1 2.840 0.584 -0.091 0.00 0.00 +0.114 A ATOM 10 C LIG 1 4.076 -0.094 -0.061 0.00 0.00 +0.146 A ATOM 11 C LIG 1 4.176 -1.394 0.442 0.00 0.00 +0.048 A ATOM 12 C LIG 1 3.051 -2.022 0.952 0.00 0.00 +0.004 A ATOM 13 C LIG 1 1.822 -1.369 0.911 0.00 0.00 +0.012 A ATOM 14 C LIG 1 1.660 -0.085 0.333 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -0.736 2.803 0.087 0.00 0.00 +0.266 A ATOM 16 O LIG 1 -0.690 3.985 -0.245 0.00 0.00 -0.267 OA ENDROOT BRANCH 4 17 ATOM 17 C LIG 1 -1.125 -1.365 -0.110 0.00 0.00 +0.092 C ATOM 18 C LIG 1 -2.049 -1.454 -1.352 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -3.180 -2.404 -0.970 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -2.581 -3.284 0.113 0.00 0.00 +0.002 C ATOM 21 C LIG 1 -1.743 -2.314 0.934 0.00 0.00 +0.025 C ENDBRANCH 4 17 BRANCH 1 23 ATOM 22 C LIG 1 -3.866 3.222 -0.405 0.00 0.00 +0.027 C ATOM 23 C LIG 1 -3.030 3.014 0.852 0.00 0.00 +0.126 C ENDBRANCH 1 23 BRANCH 10 24 ATOM 24 O LIG 1 5.157 0.617 -0.540 0.00 0.00 -0.493 OA ATOM 25 C LIG 1 6.431 -0.011 -0.529 0.00 0.00 +0.277 C ENDBRANCH 10 24 TORSDOF 3