REMARK Name = BDB029607 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.204 -1.926 -0.128 0.00 0.00 +0.028 A ATOM 2 C LIG 1 1.846 -1.645 0.059 0.00 0.00 +0.039 A ATOM 3 C LIG 1 0.826 -2.234 -0.728 0.00 0.00 +0.080 A ATOM 4 C LIG 1 -0.549 -1.766 -0.380 0.00 0.00 +0.250 C ATOM 5 N LIG 1 -1.567 -1.716 -1.324 0.00 0.00 -0.292 N ATOM 6 C LIG 1 -1.495 -2.388 -2.611 0.00 0.00 +0.149 C ATOM 7 C LIG 1 -0.988 -3.809 -2.446 0.00 0.00 +0.248 C ATOM 8 O LIG 1 0.423 -3.867 -2.580 0.00 0.00 -0.490 OA ATOM 9 O LIG 1 -0.763 -1.391 0.776 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.195 -3.158 -1.709 0.00 0.00 +0.133 A ATOM 11 C LIG 1 2.557 -3.458 -1.881 0.00 0.00 +0.048 A ATOM 12 C LIG 1 3.546 -2.861 -1.097 0.00 0.00 +0.026 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 4.155 -1.332 0.724 0.00 0.00 -0.341 N ATOM 14 H LIG 1 3.805 -0.496 1.183 0.00 0.00 +0.146 HD BRANCH 13 21 ATOM 15 C LIG 1 8.637 4.159 0.496 0.00 0.00 +0.109 C ATOM 16 C LIG 1 7.185 3.788 0.630 0.00 0.00 +0.212 C ATOM 17 N LIG 1 6.940 2.453 0.806 0.00 0.00 -0.301 N ATOM 18 C LIG 1 5.661 1.762 0.652 0.00 0.00 +0.116 C ATOM 19 C LIG 1 6.481 0.502 0.568 0.00 0.00 +0.006 C ATOM 20 C LIG 1 6.155 -0.501 -0.511 0.00 0.00 +0.032 C ATOM 21 C LIG 1 5.582 -1.420 0.603 0.00 0.00 +0.072 C ATOM 22 C LIG 1 6.313 -0.539 1.653 0.00 0.00 +0.032 C ATOM 23 C LIG 1 7.759 1.285 0.496 0.00 0.00 +0.116 C ATOM 24 O LIG 1 6.292 4.631 0.573 0.00 0.00 -0.276 OA ENDBRANCH 13 21 ENDBRANCH 1 13 BRANCH 5 25 ATOM 25 C LIG 1 -2.843 -1.076 -0.957 0.00 0.00 +0.140 C BRANCH 25 26 ATOM 26 C LIG 1 -3.790 -2.039 -0.211 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 -3.329 -2.360 1.107 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 -2.413 -2.016 1.193 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -5.241 -1.503 -0.143 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -5.397 -0.074 0.206 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -6.803 0.333 -0.002 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -7.112 1.741 0.459 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -6.295 2.383 1.405 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -6.618 3.674 1.844 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -7.758 4.316 1.363 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.581 3.676 0.439 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.040 1.709 1.892 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -8.262 2.394 -0.008 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -5.020 0.200 1.605 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 7