REMARK Name = BDB004934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.949 1.537 -0.725 0.00 0.00 +0.030 C ATOM 2 C LIG 1 -0.050 0.981 0.169 0.00 0.00 +0.024 C ATOM 3 C LIG 1 -1.247 1.565 0.390 0.00 0.00 -0.048 C ATOM 4 C LIG 1 -1.601 2.857 -0.318 0.00 0.00 +0.037 C ATOM 5 C LIG 1 -0.776 3.130 -1.582 0.00 0.00 +0.033 C ATOM 6 C LIG 1 0.604 2.537 -1.555 0.00 0.00 -0.003 C ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.824 0.029 -0.057 0.00 0.00 +0.250 C ATOM 8 N LIG 1 2.246 1.067 -0.769 0.00 0.00 -0.282 N ATOM 9 H LIG 1 2.832 1.528 -1.455 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.263 -0.751 0.703 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 6.982 -0.510 -0.692 0.00 0.00 +0.148 A ATOM 12 N LIG 1 6.477 0.755 -0.680 0.00 0.00 -0.248 NA ATOM 13 C LIG 1 5.148 0.897 -0.464 0.00 0.00 +0.124 A ATOM 14 C LIG 1 4.276 -0.167 -0.286 0.00 0.00 +0.055 A ATOM 15 C LIG 1 4.812 -1.456 -0.284 0.00 0.00 +0.017 A ATOM 16 C LIG 1 6.182 -1.634 -0.492 0.00 0.00 +0.036 A BRANCH 11 17 ATOM 17 C LIG 1 8.461 -0.615 -0.931 0.00 0.00 +0.358 C ATOM 18 O LIG 1 9.201 0.336 -1.130 0.00 0.00 -0.243 OA BRANCH 17 19 ATOM 19 O LIG 1 8.851 -1.919 -0.894 0.00 0.00 -0.460 OA BRANCH 19 21 ATOM 20 C LIG 1 11.006 -2.051 0.203 0.00 0.00 +0.048 C ATOM 21 C LIG 1 10.251 -2.157 -1.108 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 22 ATOM 22 C LIG 1 -2.311 1.050 1.350 0.00 0.00 +0.095 C ATOM 23 C LIG 1 -1.808 0.045 2.394 0.00 0.00 +0.032 C BRANCH 22 24 ATOM 24 N LIG 1 -3.326 0.434 0.493 0.00 0.00 -0.322 N ATOM 25 H LIG 1 -3.003 -0.460 0.137 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.634 0.316 0.996 0.00 0.00 +0.130 A ATOM 27 C LIG 1 -5.634 -0.275 0.195 0.00 0.00 +0.041 A ATOM 28 C LIG 1 -6.922 -0.370 0.758 0.00 0.00 +0.088 A ATOM 29 C LIG 1 -7.932 -0.975 -0.020 0.00 0.00 +0.063 A ATOM 30 C LIG 1 -7.670 -1.454 -1.319 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -6.404 -1.339 -1.871 0.00 0.00 +0.002 A ATOM 32 N LIG 1 -7.161 0.111 1.999 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 -6.147 0.686 2.655 0.00 0.00 +0.223 A ATOM 34 C LIG 1 -5.396 -0.752 -1.120 0.00 0.00 +0.013 A ATOM 35 N LIG 1 -4.899 0.815 2.212 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 -9.341 -1.151 0.456 0.00 0.00 +0.244 C ATOM 37 O LIG 1 -10.201 -1.660 -0.256 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 -9.661 -0.734 1.713 0.00 0.00 -0.325 N ATOM 39 H LIG 1 -10.614 -0.826 2.034 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 -8.968 -0.282 2.303 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 3 22 TORSDOF 9