REMARK Name = BDB022892 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.510 2.964 2.405 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -1.339 1.538 2.942 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -1.348 0.550 1.849 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -2.593 0.097 1.404 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -3.627 0.376 2.015 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -0.141 0.475 1.013 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.153 0.847 1.696 0.00 0.00 +0.067 A ATOM 8 C LIG 1 1.168 1.297 3.001 0.00 0.00 -0.005 A ATOM 9 C LIG 1 2.411 1.592 3.510 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.550 1.488 2.802 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 3.442 1.064 1.538 0.00 0.00 +0.216 A ATOM 12 N LIG 1 2.281 0.732 0.960 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 -0.082 1.388 3.814 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -2.627 -0.836 0.185 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.014 -0.794 -0.509 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.306 -2.139 -1.207 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -4.309 -3.298 -0.297 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -5.668 -3.709 0.052 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.505 -3.098 0.916 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -2.257 -2.262 0.638 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.104 0.404 -1.448 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -4.783 1.558 -1.024 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -4.863 2.683 -1.846 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.260 2.674 -3.101 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.574 1.542 -3.532 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.492 0.415 -2.710 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 4.628 0.981 0.836 0.00 0.00 -0.305 N ATOM 28 H LIG 1 5.377 1.014 1.516 0.00 0.00 +0.150 HD BRANCH 27 29 ATOM 29 C LIG 1 4.746 -0.101 -0.148 0.00 0.00 +0.121 C ATOM 30 C LIG 1 4.921 -1.439 0.592 0.00 0.00 +0.034 C BRANCH 29 31 ATOM 31 C LIG 1 5.877 0.096 -1.151 0.00 0.00 +0.083 A ATOM 32 N LIG 1 6.137 -0.822 -2.098 0.00 0.00 -0.175 NA ATOM 33 N LIG 1 7.170 -0.304 -2.785 0.00 0.00 -0.274 N ATOM 34 C LIG 1 7.718 -1.038 -3.900 0.00 0.00 +0.172 C ATOM 35 C LIG 1 7.582 0.907 -2.320 0.00 0.00 +0.108 A ATOM 36 C LIG 1 6.759 1.202 -1.260 0.00 0.00 +0.046 A ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 5