REMARK Name = BDB017578 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.682 -0.713 -1.927 0.00 0.00 +0.119 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.109 -0.480 -1.474 0.00 0.00 -0.031 A ATOM 3 C LIG 1 -2.775 -1.418 -0.686 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -4.097 -1.197 -0.287 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -4.802 -0.025 -0.636 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -6.171 0.132 -0.056 0.00 0.00 +0.045 A ATOM 7 N LIG 1 -6.805 1.374 -0.101 0.00 0.00 -0.343 N ATOM 8 H LIG 1 -6.136 2.135 -0.025 0.00 0.00 +0.146 HD ATOM 9 C LIG 1 -8.016 1.635 0.671 0.00 0.00 +0.102 C ATOM 10 C LIG 1 -8.917 0.410 0.631 0.00 0.00 +0.023 C ATOM 11 C LIG 1 -8.160 -0.823 1.128 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -6.765 -0.909 0.566 0.00 0.00 +0.038 A ATOM 13 C LIG 1 -6.040 -2.181 0.805 0.00 0.00 +0.254 A ATOM 14 O LIG 1 -6.573 -3.142 1.353 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -4.161 0.876 -1.522 0.00 0.00 -0.039 A ATOM 16 C LIG 1 -4.828 2.083 -2.131 0.00 0.00 +0.044 C ATOM 17 N LIG 1 -4.730 -2.215 0.434 0.00 0.00 -0.322 N ATOM 18 H LIG 1 -4.243 -3.078 0.630 0.00 0.00 +0.169 HD ATOM 19 C LIG 1 -2.818 0.647 -1.902 0.00 0.00 +0.009 A ENDBRANCH 1 2 BRANCH 1 23 ATOM 20 N LIG 1 2.923 -0.447 0.236 0.00 0.00 -0.327 N ATOM 21 C LIG 1 1.889 0.583 0.038 0.00 0.00 +0.120 C ATOM 22 C LIG 1 0.481 -0.049 0.136 0.00 0.00 +0.103 C ATOM 23 N LIG 1 0.213 -1.134 -0.840 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 1.475 -1.675 -1.396 0.00 0.00 +0.103 C ATOM 25 C LIG 1 2.626 -1.765 -0.368 0.00 0.00 +0.120 C BRANCH 20 30 ATOM 26 C LIG 1 7.018 0.642 0.309 0.00 0.00 +0.037 A ATOM 27 C LIG 1 6.565 -0.449 1.054 0.00 0.00 +0.018 A ATOM 28 C LIG 1 5.199 -0.803 1.062 0.00 0.00 -0.029 A ATOM 29 C LIG 1 4.780 -1.964 1.926 0.00 0.00 +0.045 C ATOM 30 C LIG 1 4.270 -0.080 0.276 0.00 0.00 +0.033 A ATOM 31 C LIG 1 4.755 1.012 -0.465 0.00 0.00 +0.024 A ATOM 32 C LIG 1 6.108 1.367 -0.457 0.00 0.00 +0.015 A BRANCH 26 36 ATOM 33 C LIG 1 10.543 1.226 1.545 0.00 0.00 +0.128 C ATOM 34 N LIG 1 9.184 0.762 1.419 0.00 0.00 -0.314 N ATOM 35 H LIG 1 8.687 0.530 2.268 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 8.450 1.048 0.286 0.00 0.00 +0.244 C ATOM 37 O LIG 1 8.910 1.634 -0.688 0.00 0.00 -0.270 OA ENDBRANCH 26 36 ENDBRANCH 20 30 ENDBRANCH 1 23 TORSDOF 4