REMARK Name = BDB039443 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.064 3.393 1.189 0.00 0.00 +0.164 A ATOM 2 C LIG 1 2.110 2.515 0.598 0.00 0.00 +0.131 A ATOM 3 C LIG 1 2.863 1.575 -0.080 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.292 0.523 -0.799 0.00 0.00 -0.004 A ATOM 5 C LIG 1 0.888 0.526 -0.780 0.00 0.00 +0.035 A ATOM 6 C LIG 1 0.171 1.500 -0.066 0.00 0.00 +0.072 A ATOM 7 N LIG 1 4.164 1.935 0.146 0.00 0.00 -0.273 N ATOM 8 H LIG 1 4.987 1.450 -0.194 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 0.754 2.503 0.630 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 4.317 3.021 0.926 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.308 1.505 -0.037 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -2.046 0.311 0.121 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -3.432 0.368 0.142 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -4.429 -0.732 0.281 0.00 0.00 +0.144 C ATOM 15 N LIG 1 -5.697 -0.015 0.314 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -5.533 1.338 0.054 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -6.388 2.182 -0.125 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -4.088 1.588 0.006 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -3.415 2.781 -0.148 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -2.017 2.730 -0.162 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 -6.970 -0.723 0.219 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -7.374 -0.942 -1.248 0.00 0.00 +0.240 C ATOM 23 O LIG 1 -6.562 -1.102 -2.159 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 -8.722 -1.078 -1.488 0.00 0.00 -0.255 N ATOM 25 H LIG 1 -8.983 -1.259 -2.447 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -9.740 -1.127 -0.569 0.00 0.00 +0.219 C ATOM 27 O LIG 1 -10.884 -1.415 -0.909 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -9.361 -0.908 0.877 0.00 0.00 +0.098 C ATOM 29 C LIG 1 -8.106 -0.058 0.996 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 N LIG 1 2.747 4.460 1.943 0.00 0.00 -0.340 N ATOM 31 H LIG 1 1.813 4.503 2.338 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 3.475 4.825 2.544 0.00 0.00 +0.144 HD ENDBRANCH 1 30 BRANCH 4 33 ATOM 33 C LIG 1 3.073 -0.488 -1.604 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 4.374 -0.836 -0.997 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 4.214 -1.696 0.183 0.00 0.00 +0.085 C ATOM 36 C LIG 1 5.543 -1.835 0.940 0.00 0.00 +0.027 C ATOM 37 C LIG 1 6.739 -1.747 -0.011 0.00 0.00 +0.020 C ATOM 38 C LIG 1 8.064 -2.275 0.575 0.00 0.00 +0.169 C ATOM 39 O LIG 1 8.758 -1.065 0.184 0.00 0.00 -0.379 OA ATOM 40 C LIG 1 7.491 -0.395 -0.034 0.00 0.00 +0.169 C ATOM 41 C LIG 1 6.398 -2.292 -1.395 0.00 0.00 +0.027 C ATOM 42 C LIG 1 5.236 -1.491 -2.002 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 5