REMARK Name = BDB024706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.953 -2.361 1.345 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.251 -1.153 1.535 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.114 0.007 1.836 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.863 0.473 0.575 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.368 1.159 2.504 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.191 1.577 1.651 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.313 0.391 1.374 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.934 0.594 1.134 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.230 1.775 1.086 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.020 1.448 0.822 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -1.150 0.077 0.715 0.00 0.00 -0.326 N ATOM 12 C LIG 1 0.089 -0.485 0.925 0.00 0.00 +0.069 A ATOM 13 C LIG 1 0.547 -1.797 0.961 0.00 0.00 +0.030 A ATOM 14 C LIG 1 1.919 -1.990 1.184 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.832 -0.932 1.344 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.124 -2.516 1.688 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 5.007 -4.539 0.468 0.00 0.00 +0.282 C ATOM 18 O LIG 1 4.269 -3.336 0.689 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -2.385 -0.649 0.468 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 -2.666 -0.886 -1.024 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 -1.886 -2.010 -1.563 0.00 0.00 -0.299 NA ATOM 22 C LIG 1 -2.181 -2.211 -3.015 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -2.284 -3.673 -2.708 0.00 0.00 +0.043 C ATOM 24 C LIG 1 -1.164 -4.597 -3.058 0.00 0.00 +0.171 C ATOM 25 O LIG 1 -2.111 -5.497 -3.716 0.00 0.00 -0.378 OA ATOM 26 C LIG 1 -3.205 -4.564 -3.462 0.00 0.00 +0.171 C ATOM 27 C LIG 1 -2.540 -3.326 -1.271 0.00 0.00 +0.097 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 28 ATOM 28 C LIG 1 -2.158 2.407 0.685 0.00 0.00 +0.096 C BRANCH 28 29 ATOM 29 C LIG 1 -1.679 3.844 0.455 0.00 0.00 +0.132 C BRANCH 29 30 ATOM 30 N LIG 1 -2.799 4.788 0.397 0.00 0.00 -0.315 N ATOM 31 C LIG 1 -3.520 4.895 -0.793 0.00 0.00 +0.251 A ATOM 32 O LIG 1 -3.304 4.232 -1.805 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 -4.632 5.885 -0.794 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -4.913 6.584 0.313 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -4.150 6.384 1.520 0.00 0.00 +0.018 A ATOM 36 C LIG 1 -3.133 5.514 1.530 0.00 0.00 +0.089 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 10 28 TORSDOF 7