REMARK Name = BDB057960 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.550 -0.508 -1.665 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.038 0.096 -0.499 0.00 0.00 +0.018 A ATOM 3 C LIG 1 2.020 1.098 -0.573 0.00 0.00 -0.024 A ATOM 4 C LIG 1 2.472 1.488 -1.849 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.996 0.870 -3.009 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.042 -0.140 -2.918 0.00 0.00 +0.013 A ENDROOT BRANCH 1 11 ATOM 7 N LIG 1 -4.509 -0.936 -0.334 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -3.750 -2.100 0.169 0.00 0.00 +0.125 C ATOM 9 C LIG 1 -2.604 -2.446 -0.794 0.00 0.00 +0.127 C ATOM 10 N LIG 1 -1.667 -1.333 -0.965 0.00 0.00 -0.295 N ATOM 11 C LIG 1 -0.451 -1.593 -1.582 0.00 0.00 +0.247 C ATOM 12 O LIG 1 -0.154 -2.686 -2.059 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.190 0.005 -0.649 0.00 0.00 +0.127 C ATOM 14 C LIG 1 -3.699 0.145 -0.942 0.00 0.00 +0.125 C BRANCH 7 16 ATOM 15 C LIG 1 -6.648 0.233 -0.030 0.00 0.00 +0.092 A ATOM 16 C LIG 1 -5.583 -0.536 0.468 0.00 0.00 +0.139 A ATOM 17 N LIG 1 -5.587 -0.949 1.762 0.00 0.00 -0.239 NA ATOM 18 C LIG 1 -6.614 -0.591 2.567 0.00 0.00 +0.113 A ATOM 19 C LIG 1 -7.683 0.175 2.150 0.00 0.00 +0.021 A ATOM 20 C LIG 1 -7.700 0.591 0.826 0.00 0.00 +0.024 A BRANCH 15 22 ATOM 21 N LIG 1 -6.802 1.003 -2.502 0.00 0.00 -0.191 NA ATOM 22 C LIG 1 -6.724 0.635 -1.402 0.00 0.00 +0.103 C ENDBRANCH 15 22 ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 3 23 ATOM 23 C LIG 1 2.599 1.783 0.657 0.00 0.00 +0.133 C BRANCH 23 24 ATOM 24 C LIG 1 4.145 1.738 0.710 0.00 0.00 +0.090 A ATOM 25 C LIG 1 4.890 0.449 0.811 0.00 0.00 +0.012 A ATOM 26 C LIG 1 6.283 0.517 0.779 0.00 0.00 +0.050 A ATOM 27 C LIG 1 7.062 -0.646 0.850 0.00 0.00 +0.014 A ATOM 28 C LIG 1 6.444 -1.889 0.960 0.00 0.00 +0.001 A ATOM 29 C LIG 1 5.053 -1.966 1.006 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.940 1.829 0.683 0.00 0.00 +0.272 A ATOM 31 O LIG 1 8.161 1.937 0.640 0.00 0.00 -0.266 OA ATOM 32 N LIG 1 6.107 2.921 0.653 0.00 0.00 -0.242 N ATOM 33 H LIG 1 6.547 3.834 0.586 0.00 0.00 +0.192 HD ATOM 34 C LIG 1 4.279 -0.803 0.938 0.00 0.00 +0.010 A ATOM 35 N LIG 1 4.749 2.893 0.649 0.00 0.00 -0.173 NA ENDBRANCH 23 24 BRANCH 23 36 ATOM 36 N LIG 1 2.060 1.312 1.947 0.00 0.00 -0.319 NA ATOM 37 H LIG 1 1.078 1.581 1.996 0.00 0.00 +0.119 HD ATOM 38 H LIG 1 2.514 1.849 2.690 0.00 0.00 +0.119 HD ENDBRANCH 23 36 ENDBRANCH 3 23 TORSDOF 6