REMARK Name = BDB054475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.098 -2.322 0.734 0.00 0.00 +0.149 C ATOM 2 N LIG 1 0.180 -0.923 0.370 0.00 0.00 -0.344 N ATOM 3 C LIG 1 -0.891 -0.115 0.035 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -0.355 1.146 -0.204 0.00 0.00 +0.055 A ATOM 5 C LIG 1 1.050 1.074 -0.063 0.00 0.00 +0.052 A ATOM 6 C LIG 1 1.353 -0.217 0.284 0.00 0.00 +0.109 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.279 -0.552 0.030 0.00 0.00 +0.263 C ATOM 8 N LIG 1 -3.138 0.031 -0.896 0.00 0.00 -0.292 N ATOM 9 C LIG 1 -4.567 -0.322 -0.925 0.00 0.00 +0.090 C ATOM 10 C LIG 1 -5.068 0.330 -2.220 0.00 0.00 +0.025 C ATOM 11 C LIG 1 -3.856 0.241 -3.133 0.00 0.00 +0.021 C ATOM 12 C LIG 1 -2.710 0.564 -2.185 0.00 0.00 +0.108 C ATOM 13 O LIG 1 -2.684 -1.406 0.817 0.00 0.00 -0.268 OA BRANCH 9 14 ATOM 14 C LIG 1 -5.346 0.117 0.340 0.00 0.00 +0.107 C BRANCH 14 15 ATOM 15 N LIG 1 -6.775 -0.247 0.290 0.00 0.00 -0.296 NA ATOM 16 C LIG 1 -7.241 -0.745 1.603 0.00 0.00 +0.112 C ATOM 17 C LIG 1 -8.774 -0.739 1.694 0.00 0.00 +0.175 C ATOM 18 O LIG 1 -9.333 0.580 1.615 0.00 0.00 -0.377 OA ATOM 19 C LIG 1 -8.489 1.504 0.918 0.00 0.00 +0.175 C ATOM 20 C LIG 1 -7.651 0.843 -0.190 0.00 0.00 +0.112 C ENDBRANCH 14 15 ENDBRANCH 9 14 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 N LIG 1 1.883 2.116 -0.240 0.00 0.00 -0.282 N ATOM 22 H LIG 1 1.526 3.032 -0.478 0.00 0.00 +0.155 HD BRANCH 21 23 ATOM 23 C LIG 1 3.274 2.238 -0.152 0.00 0.00 +0.221 A ATOM 24 N LIG 1 4.049 1.184 0.153 0.00 0.00 -0.195 NA ATOM 25 C LIG 1 5.357 1.477 0.193 0.00 0.00 +0.164 A ATOM 26 C LIG 1 5.931 2.708 -0.048 0.00 0.00 +0.057 A ATOM 27 C LIG 1 7.312 2.498 0.104 0.00 0.00 +0.146 A ATOM 28 N LIG 1 7.609 1.232 0.416 0.00 0.00 -0.177 NA ATOM 29 C LIG 1 5.061 3.740 -0.355 0.00 0.00 +0.127 A ATOM 30 N LIG 1 6.396 0.625 0.476 0.00 0.00 -0.243 N ATOM 31 N LIG 1 3.730 3.488 -0.404 0.00 0.00 -0.222 NA BRANCH 30 32 ATOM 32 C LIG 1 6.264 -0.793 0.780 0.00 0.00 +0.110 C ATOM 33 C LIG 1 6.541 -1.668 -0.459 0.00 0.00 +0.030 C ATOM 34 C LIG 1 7.982 -2.079 -0.330 0.00 0.00 -0.006 C ATOM 35 C LIG 1 8.415 -1.854 1.088 0.00 0.00 -0.006 C ATOM 36 C LIG 1 8.398 -3.248 0.522 0.00 0.00 +0.007 C ATOM 37 C LIG 1 7.249 -1.296 1.857 0.00 0.00 +0.030 C ENDBRANCH 30 32 ENDBRANCH 21 23 ENDBRANCH 5 21 TORSDOF 6