REMARK Name = BDB053222 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.710 -0.708 0.286 0.00 0.00 +0.042 A ATOM 2 C LIG 1 2.635 0.311 -0.055 0.00 0.00 +0.010 A ATOM 3 C LIG 1 4.014 0.072 0.149 0.00 0.00 +0.048 A ATOM 4 C LIG 1 5.010 1.124 -0.191 0.00 0.00 +0.257 A ATOM 5 N LIG 1 4.507 2.296 -0.706 0.00 0.00 -0.329 N ATOM 6 H LIG 1 5.198 3.000 -0.936 0.00 0.00 +0.168 HD ATOM 7 C LIG 1 3.181 2.533 -0.921 0.00 0.00 +0.086 A ATOM 8 O LIG 1 6.213 0.962 -0.024 0.00 0.00 -0.267 OA ATOM 9 C LIG 1 4.476 -1.139 0.672 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.565 -2.132 1.002 0.00 0.00 +0.003 A ATOM 11 C LIG 1 2.249 1.619 -0.628 0.00 0.00 +0.028 A ATOM 12 C LIG 1 2.198 -1.915 0.813 0.00 0.00 +0.024 A ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -0.712 -1.406 0.272 0.00 0.00 +0.248 C ATOM 14 N LIG 1 0.316 -0.491 0.119 0.00 0.00 -0.281 N ATOM 15 H LIG 1 0.040 0.417 -0.218 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 -0.609 -2.606 0.487 0.00 0.00 -0.270 OA BRANCH 13 21 ATOM 17 C LIG 1 -6.066 0.701 -0.439 0.00 0.00 +0.044 C ATOM 18 C LIG 1 -4.669 0.176 -0.275 0.00 0.00 -0.050 A ATOM 19 C LIG 1 -3.701 0.937 0.394 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -2.409 0.436 0.579 0.00 0.00 +0.013 A ATOM 21 C LIG 1 -2.077 -0.836 0.096 0.00 0.00 +0.037 A ATOM 22 C LIG 1 -3.050 -1.613 -0.541 0.00 0.00 +0.013 A ATOM 23 C LIG 1 -4.339 -1.108 -0.726 0.00 0.00 +0.004 A ENDBRANCH 13 21 ENDBRANCH 1 14 TORSDOF 2