REMARK Name = BDB010374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.520 -1.849 0.006 0.00 0.00 +0.199 A ATOM 2 N LIG 1 0.504 -0.941 0.248 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.565 -1.284 -0.555 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.117 -2.408 -1.234 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.854 -3.110 -2.107 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.084 -2.619 -2.240 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.614 -1.528 -1.637 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.855 -0.810 -0.783 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.165 -2.722 -0.903 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.006 -3.333 -3.151 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.266 -2.885 -3.282 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.680 -2.097 -2.813 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.882 -3.699 -4.148 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.043 -3.607 -4.513 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.986 -4.656 -4.557 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -2.758 -4.378 -3.872 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 2.707 -1.792 0.645 0.00 0.00 -0.308 N ATOM 18 H LIG 1 2.836 -1.266 1.502 0.00 0.00 +0.149 HD BRANCH 17 20 ATOM 19 C LIG 1 3.450 -4.013 1.336 0.00 0.00 +0.033 C ATOM 20 C LIG 1 3.712 -2.826 0.403 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 C LIG 1 5.068 -2.187 0.547 0.00 0.00 +0.009 A ATOM 22 C LIG 1 5.943 -2.390 1.597 0.00 0.00 +0.119 A ATOM 23 N LIG 1 7.144 -1.786 1.709 0.00 0.00 -0.243 NA ATOM 24 C LIG 1 7.472 -0.948 0.715 0.00 0.00 +0.221 A ATOM 25 N LIG 1 6.714 -0.661 -0.352 0.00 0.00 -0.243 NA ATOM 26 C LIG 1 5.524 -1.293 -0.408 0.00 0.00 +0.119 A ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 8 27 ATOM 27 N LIG 1 -2.368 0.334 -0.181 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -1.664 1.059 -0.136 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.679 0.830 -0.622 0.00 0.00 +0.072 C ATOM 30 C LIG 1 -3.729 2.337 -0.351 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 -4.805 0.068 0.091 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -6.283 0.543 -0.025 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -6.496 -0.030 1.393 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -4.986 0.186 1.632 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 2 35 ATOM 35 C LIG 1 0.562 0.121 1.238 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 1.463 1.307 0.840 0.00 0.00 +0.009 C ATOM 37 C LIG 1 1.672 2.233 2.049 0.00 0.00 +0.005 C ATOM 38 C LIG 1 2.563 3.425 1.701 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.018 4.213 0.504 0.00 0.00 -0.014 C ATOM 40 C LIG 1 2.958 5.361 0.140 0.00 0.00 +0.007 C ATOM 41 C LIG 1 1.798 3.290 -0.701 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.900 2.106 -0.344 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 9