REMARK Name = BDB031523 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.372 -0.522 -2.201 0.00 0.00 +0.121 C ENDROOT BRANCH 1 11 ATOM 2 C LIG 1 5.561 -0.165 0.473 0.00 0.00 +0.019 A ATOM 3 C LIG 1 4.915 -1.441 0.926 0.00 0.00 +0.252 A ATOM 4 O LIG 1 5.489 -2.232 1.667 0.00 0.00 -0.268 OA ATOM 5 N LIG 1 3.645 -1.693 0.473 0.00 0.00 -0.321 N ATOM 6 H LIG 1 3.225 -2.555 0.792 0.00 0.00 +0.169 HD ATOM 7 C LIG 1 2.952 -0.831 -0.384 0.00 0.00 +0.068 A ATOM 8 C LIG 1 3.554 0.348 -0.818 0.00 0.00 +0.088 A ATOM 9 N LIG 1 2.962 1.230 -1.648 0.00 0.00 -0.253 NA ATOM 10 C LIG 1 1.706 0.920 -2.054 0.00 0.00 +0.116 A ATOM 11 C LIG 1 1.011 -0.229 -1.670 0.00 0.00 -0.013 A ATOM 12 C LIG 1 1.667 -1.128 -0.820 0.00 0.00 +0.034 A ATOM 13 C LIG 1 4.903 0.660 -0.361 0.00 0.00 +0.038 A BRANCH 2 15 ATOM 14 C LIG 1 6.980 0.623 2.392 0.00 0.00 +0.009 C ATOM 15 C LIG 1 6.958 0.111 0.958 0.00 0.00 +0.037 C ENDBRANCH 2 15 ENDBRANCH 1 11 BRANCH 1 16 ATOM 16 N LIG 1 -1.262 0.650 -2.177 0.00 0.00 -0.288 NA ATOM 17 C LIG 1 -2.027 0.856 -0.908 0.00 0.00 +0.096 C ATOM 18 C LIG 1 -1.375 0.439 0.397 0.00 0.00 +0.028 C ATOM 19 C LIG 1 -3.190 -0.003 -1.480 0.00 0.00 +0.206 C ATOM 20 C LIG 1 -2.545 0.313 -2.850 0.00 0.00 +0.131 C BRANCH 19 21 ATOM 21 O LIG 1 -4.536 0.499 -1.312 0.00 0.00 -0.470 OA BRANCH 21 22 ATOM 22 C LIG 1 -5.128 0.260 -0.090 0.00 0.00 +0.215 A ATOM 23 N LIG 1 -4.497 -0.524 0.809 0.00 0.00 -0.220 NA ATOM 24 C LIG 1 -5.134 -0.728 1.988 0.00 0.00 +0.133 A ATOM 25 C LIG 1 -6.372 -0.185 2.304 0.00 0.00 +0.070 A ATOM 26 C LIG 1 -6.998 0.617 1.351 0.00 0.00 +0.025 A ATOM 27 C LIG 1 -6.366 0.844 0.130 0.00 0.00 +0.068 A BRANCH 25 28 ATOM 28 C LIG 1 -6.977 -0.449 3.570 0.00 0.00 +0.101 C ATOM 29 N LIG 1 -7.468 -0.666 4.599 0.00 0.00 -0.191 NA ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 1 16 TORSDOF 6