REMARK Name = BDB024841 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.964 -3.217 -0.388 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.622 -1.864 -0.554 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.694 -0.848 -0.517 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.954 -0.378 0.920 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.422 0.303 -1.482 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.112 0.979 -1.149 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.005 -0.025 -0.995 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.665 0.408 -1.130 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.188 1.665 -1.417 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.123 1.557 -1.481 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.522 0.268 -1.187 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.615 -0.484 -0.978 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -0.824 -1.825 -0.673 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.155 -2.249 -0.534 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.257 -1.392 -0.697 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.218 -4.184 -0.495 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -6.699 -4.741 0.082 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.292 -3.383 -0.091 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.878 -0.254 -1.170 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.391 -0.482 0.238 0.00 0.00 +0.233 C ATOM 21 N LIG 1 3.217 0.498 0.728 0.00 0.00 -0.307 N ATOM 22 H LIG 1 3.561 1.244 0.116 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 2.091 -1.475 0.901 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 3.883 0.383 2.004 0.00 0.00 +0.180 C BRANCH 24 25 ATOM 25 C LIG 1 5.216 -0.242 1.795 0.00 0.00 +0.144 A ATOM 26 N LIG 1 5.500 -1.568 1.998 0.00 0.00 -0.251 N ATOM 27 C LIG 1 4.631 -2.632 2.433 0.00 0.00 +0.174 C ATOM 28 N LIG 1 6.790 -1.835 1.710 0.00 0.00 -0.158 NA ATOM 29 C LIG 1 7.234 -0.636 1.334 0.00 0.00 +0.245 A ATOM 30 N LIG 1 6.311 0.365 1.372 0.00 0.00 -0.218 NA ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 1.034 2.686 -1.833 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 C LIG 1 1.485 3.440 -0.586 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 N LIG 1 2.886 3.811 -0.666 0.00 0.00 -0.271 N ATOM 34 N LIG 1 3.825 2.838 -0.670 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 4.978 3.514 -0.707 0.00 0.00 +0.134 A ATOM 36 C LIG 1 4.777 4.906 -0.745 0.00 0.00 +0.041 A ATOM 37 C LIG 1 3.411 5.067 -0.716 0.00 0.00 +0.108 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8