REMARK Name = BDB039384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.102 -1.127 -0.047 0.00 0.00 +0.001 A ATOM 2 C LIG 1 1.646 0.172 0.068 0.00 0.00 +0.016 A ATOM 3 C LIG 1 3.019 0.346 -0.009 0.00 0.00 -0.017 A ATOM 4 C LIG 1 3.829 1.593 0.103 0.00 0.00 +0.144 C ATOM 5 N LIG 1 5.184 1.118 -0.141 0.00 0.00 -0.282 N ATOM 6 C LIG 1 5.242 -0.262 -0.224 0.00 0.00 +0.248 C ATOM 7 O LIG 1 6.224 -0.974 -0.281 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.858 -0.748 -0.190 0.00 0.00 +0.042 A ATOM 9 C LIG 1 3.383 -2.038 -0.294 0.00 0.00 +0.014 A ATOM 10 C LIG 1 1.998 -2.217 -0.221 0.00 0.00 +0.011 A ENDROOT BRANCH 1 15 ATOM 11 N LIG 1 -4.238 -2.609 0.362 0.00 0.00 -0.343 N ATOM 12 C LIG 1 -3.040 -1.927 0.173 0.00 0.00 +0.072 A ATOM 13 C LIG 1 -2.044 -2.775 0.676 0.00 0.00 +0.090 A ATOM 14 N LIG 1 -0.719 -2.521 0.614 0.00 0.00 -0.245 NA ATOM 15 C LIG 1 -0.358 -1.368 0.024 0.00 0.00 +0.072 A ATOM 16 C LIG 1 -1.289 -0.461 -0.479 0.00 0.00 +0.035 A ATOM 17 C LIG 1 -2.658 -3.899 1.264 0.00 0.00 +0.047 A ATOM 18 C LIG 1 -2.682 -0.678 -0.382 0.00 0.00 -0.006 A ATOM 19 C LIG 1 -4.012 -3.756 1.093 0.00 0.00 +0.088 A BRANCH 11 21 ATOM 20 C LIG 1 -6.388 -1.550 0.939 0.00 0.00 +0.030 C ATOM 21 C LIG 1 -5.560 -2.237 -0.146 0.00 0.00 +0.081 C ATOM 22 C LIG 1 -6.329 -3.416 -0.757 0.00 0.00 +0.030 C ENDBRANCH 11 21 BRANCH 18 23 ATOM 23 C LIG 1 -3.628 0.392 -0.894 0.00 0.00 +0.121 C BRANCH 23 24 ATOM 24 N LIG 1 -3.144 1.772 -0.675 0.00 0.00 -0.298 NA ATOM 25 C LIG 1 -3.240 2.174 0.740 0.00 0.00 +0.085 C ATOM 26 C LIG 1 -4.654 2.701 0.943 0.00 0.00 +0.017 C ATOM 27 C LIG 1 -5.165 3.027 -0.453 0.00 0.00 +0.017 C ATOM 28 C LIG 1 -3.988 2.752 -1.376 0.00 0.00 +0.085 C ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 1 15 BRANCH 5 29 ATOM 29 C LIG 1 6.331 2.007 0.009 0.00 0.00 +0.163 C ATOM 30 C LIG 1 6.997 1.790 1.367 0.00 0.00 +0.240 C ATOM 31 O LIG 1 6.408 2.005 2.428 0.00 0.00 -0.273 OA ATOM 32 N LIG 1 8.276 1.296 1.367 0.00 0.00 -0.255 N ATOM 33 H LIG 1 8.693 1.151 2.275 0.00 0.00 +0.158 HD ATOM 34 C LIG 1 9.036 0.892 0.301 0.00 0.00 +0.219 C ATOM 35 O LIG 1 10.175 0.464 0.474 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 8.414 0.976 -1.070 0.00 0.00 +0.098 C ATOM 37 C LIG 1 7.316 2.021 -1.158 0.00 0.00 +0.041 C ENDBRANCH 5 29 TORSDOF 5