REMARK Name = BDB038574 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.473 -1.325 -0.161 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.770 -2.322 -1.027 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.063 -2.623 -1.308 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.093 -1.907 -0.702 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.811 -0.863 0.185 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.469 -0.585 0.458 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.247 0.109 1.128 0.00 0.00 -0.030 A ATOM 8 C LIG 1 2.915 0.477 1.377 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.915 -0.259 0.766 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.459 -0.085 0.856 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.108 -1.077 0.067 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.895 -1.914 -0.573 0.00 0.00 +0.151 C ATOM 13 O LIG 1 -0.058 0.798 1.514 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.177 -1.335 -0.076 0.00 0.00 -0.018 A ATOM 15 C LIG 1 3.479 -1.715 -0.337 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.512 -0.989 0.269 0.00 0.00 +0.005 A BRANCH 7 18 ATOM 17 C LIG 1 6.065 0.002 2.841 0.00 0.00 +0.029 C ATOM 18 C LIG 1 5.385 0.882 1.786 0.00 0.00 +0.081 C BRANCH 18 19 ATOM 19 N LIG 1 6.323 1.355 0.757 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 5.780 1.798 0.016 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 7.284 2.328 1.268 0.00 0.00 +0.085 C BRANCH 21 22 ATOM 22 C LIG 1 8.098 2.813 0.105 0.00 0.00 +0.003 C ATOM 23 C LIG 1 9.541 3.205 0.296 0.00 0.00 +0.005 C ATOM 24 C LIG 1 9.199 1.959 -0.472 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 25 ATOM 25 C LIG 1 -4.893 -0.072 0.805 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -5.862 0.632 0.048 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -6.902 1.319 0.701 0.00 0.00 +0.031 A ATOM 28 C LIG 1 -6.977 1.345 2.096 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -6.013 0.675 2.849 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -4.987 -0.027 2.210 0.00 0.00 +0.010 A BRANCH 26 31 ATOM 31 C LIG 1 -5.847 0.663 -1.413 0.00 0.00 +0.164 A ATOM 32 N LIG 1 -4.907 1.270 -2.208 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -3.767 2.052 -1.811 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -5.276 1.020 -3.495 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -6.387 0.323 -3.506 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -6.755 0.111 -2.198 0.00 0.00 -0.129 NA ENDBRANCH 26 31 BRANCH 28 37 ATOM 37 C LIG 1 -8.035 2.058 2.749 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -8.885 2.641 3.283 0.00 0.00 -0.191 NA ENDBRANCH 28 37 ENDBRANCH 5 25 BRANCH 3 39 ATOM 39 C LIG 1 -3.302 -3.738 -2.307 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -4.505 -4.647 -2.232 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -4.398 -3.641 -3.343 0.00 0.00 +0.010 C ENDBRANCH 3 39 TORSDOF 9