REMARK Name = BDB022852 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.208 -2.095 -1.120 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -1.019 -1.177 -1.408 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -1.057 0.151 -0.759 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -2.276 0.850 -0.783 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -2.542 1.676 -1.653 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 0.058 1.002 -1.197 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.407 0.331 -1.106 0.00 0.00 +0.067 A ATOM 8 C LIG 1 1.494 -1.047 -1.071 0.00 0.00 -0.005 A ATOM 9 C LIG 1 2.771 -1.553 -1.023 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.877 -0.786 -1.036 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 3.701 0.537 -1.091 0.00 0.00 +0.216 A ATOM 12 N LIG 1 2.501 1.127 -1.125 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 0.279 -1.917 -1.009 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.140 0.630 0.461 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.594 1.127 0.246 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -5.234 1.638 1.565 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -4.717 0.916 2.734 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -5.481 1.226 3.940 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.284 1.156 2.940 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -2.502 1.374 1.641 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -5.425 0.054 -0.451 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -5.922 -1.063 0.237 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -6.660 -2.042 -0.431 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -6.906 -1.920 -1.797 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -6.412 -0.821 -2.496 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.674 0.158 -1.829 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 4.776 1.400 -1.119 0.00 0.00 -0.309 N ATOM 28 H LIG 1 4.394 2.320 -0.923 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 6.014 1.085 -0.414 0.00 0.00 +0.091 C ATOM 30 C LIG 1 6.838 -0.034 -1.060 0.00 0.00 +0.129 C ATOM 31 N LIG 1 8.089 -0.310 -0.349 0.00 0.00 -0.303 N ATOM 32 C LIG 1 9.037 -1.170 -1.037 0.00 0.00 +0.132 C ATOM 33 C LIG 1 8.139 -0.284 1.042 0.00 0.00 +0.215 C ATOM 34 O LIG 1 8.995 -0.883 1.693 0.00 0.00 -0.276 OA ATOM 35 C LIG 1 7.160 0.642 1.744 0.00 0.00 +0.098 C ATOM 36 C LIG 1 5.808 0.767 1.063 0.00 0.00 +0.033 C ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 4