REMARK Name = BDB032770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.515 0.695 -3.345 0.00 0.00 +0.269 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.660 0.416 -2.405 0.00 0.00 -0.010 A ATOM 3 C LIG 1 3.472 1.466 -1.952 0.00 0.00 +0.020 A ATOM 4 C LIG 1 4.491 1.155 -1.071 0.00 0.00 +0.042 A ATOM 5 C LIG 1 5.476 2.046 -0.450 0.00 0.00 +0.248 C ATOM 6 N LIG 1 6.238 1.266 0.408 0.00 0.00 -0.282 N ATOM 7 C LIG 1 5.909 -0.150 0.299 0.00 0.00 +0.144 C ATOM 8 O LIG 1 5.577 3.238 -0.666 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 4.735 -0.141 -0.623 0.00 0.00 -0.018 A ATOM 10 C LIG 1 3.939 -1.187 -1.052 0.00 0.00 +0.006 A ATOM 11 C LIG 1 2.896 -0.900 -1.942 0.00 0.00 +0.007 A BRANCH 6 12 ATOM 12 C LIG 1 7.470 1.761 1.010 0.00 0.00 +0.163 C ATOM 13 C LIG 1 8.712 1.394 0.180 0.00 0.00 +0.240 C ATOM 14 O LIG 1 8.679 0.936 -0.960 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 9.919 1.603 0.808 0.00 0.00 -0.255 N ATOM 16 H LIG 1 10.729 1.341 0.262 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 10.124 1.611 2.164 0.00 0.00 +0.219 C ATOM 18 O LIG 1 11.239 1.415 2.638 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 8.916 1.892 3.028 0.00 0.00 +0.098 C ATOM 20 C LIG 1 7.663 1.262 2.439 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 O LIG 1 0.382 1.143 -2.591 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 -1.523 0.791 -1.549 0.00 0.00 -0.250 N ATOM 23 H LIG 1 -1.352 1.771 -1.369 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -0.544 0.196 -2.291 0.00 0.00 +0.405 C ATOM 25 O LIG 1 -0.476 -0.972 -2.641 0.00 0.00 -0.226 OA BRANCH 22 29 ATOM 26 C LIG 1 -5.041 -0.728 0.129 0.00 0.00 +0.121 A ATOM 27 N LIG 1 -4.698 0.566 0.307 0.00 0.00 -0.238 NA ATOM 28 C LIG 1 -3.548 1.000 -0.262 0.00 0.00 +0.136 A ATOM 29 C LIG 1 -2.684 0.208 -1.014 0.00 0.00 +0.055 A ATOM 30 C LIG 1 -3.045 -1.121 -1.180 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -4.229 -1.593 -0.603 0.00 0.00 +0.045 A BRANCH 26 34 ATOM 32 C LIG 1 -8.171 -1.648 1.173 0.00 0.00 +0.091 C ATOM 33 C LIG 1 -7.319 -0.358 1.121 0.00 0.00 +0.127 C ATOM 34 N LIG 1 -6.223 -1.204 0.723 0.00 0.00 -0.312 N ATOM 35 C LIG 1 -7.120 -2.184 0.171 0.00 0.00 +0.127 C BRANCH 32 37 ATOM 36 C LIG 1 -10.111 -2.758 0.297 0.00 0.00 +0.105 C ATOM 37 N LIG 1 -9.481 -1.452 0.510 0.00 0.00 -0.302 NA ATOM 38 C LIG 1 -10.337 -0.636 1.378 0.00 0.00 +0.105 C ENDBRANCH 32 37 ENDBRANCH 26 34 ENDBRANCH 22 29 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 7