REMARK Name = BDB060148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.056 0.354 -0.470 0.00 0.00 -0.325 N ATOM 2 C LIG 1 0.761 0.231 -1.016 0.00 0.00 +0.035 A ATOM 3 C LIG 1 0.242 0.876 -2.129 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -1.083 0.634 -2.503 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.885 -0.243 -1.760 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -1.371 -0.881 -0.625 0.00 0.00 +0.057 A ATOM 7 C LIG 1 -0.054 -0.631 -0.270 0.00 0.00 -0.002 A ATOM 8 C LIG 1 0.719 -1.148 0.896 0.00 0.00 +0.058 C ATOM 9 C LIG 1 2.147 -0.794 0.458 0.00 0.00 +0.110 C ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 3.162 0.589 -1.396 0.00 0.00 +0.140 C BRANCH 10 15 ATOM 11 C LIG 1 6.726 0.063 -0.128 0.00 0.00 +0.124 A ATOM 12 C LIG 1 6.875 1.169 0.718 0.00 0.00 +0.091 A ATOM 13 C LIG 1 5.834 2.082 0.886 0.00 0.00 +0.124 A ATOM 14 C LIG 1 4.637 1.883 0.198 0.00 0.00 +0.051 A ATOM 15 C LIG 1 4.468 0.782 -0.657 0.00 0.00 -0.023 A ATOM 16 C LIG 1 5.525 -0.127 -0.813 0.00 0.00 +0.051 A BRANCH 11 18 ATOM 17 C LIG 1 7.730 -1.899 -1.028 0.00 0.00 +0.277 C ATOM 18 O LIG 1 7.826 -0.750 -0.196 0.00 0.00 -0.495 OA ENDBRANCH 11 18 BRANCH 13 19 ATOM 19 O LIG 1 5.859 3.195 1.682 0.00 0.00 -0.495 OA ATOM 20 C LIG 1 7.043 3.416 2.438 0.00 0.00 +0.277 C ENDBRANCH 13 19 ENDBRANCH 10 15 ENDBRANCH 1 10 BRANCH 6 21 ATOM 21 N LIG 1 -2.172 -1.776 0.154 0.00 0.00 -0.192 N BRANCH 21 22 ATOM 22 S LIG 1 -3.047 -1.137 1.479 0.00 0.00 +0.076 S ATOM 23 O LIG 1 -3.745 -2.232 2.123 0.00 0.00 -0.150 OA ATOM 24 O LIG 1 -2.158 -0.327 2.285 0.00 0.00 -0.150 OA BRANCH 22 25 ATOM 25 C LIG 1 -4.288 -0.045 0.720 0.00 0.00 +0.115 A ATOM 26 C LIG 1 -5.575 -0.541 0.379 0.00 0.00 -0.023 A ATOM 27 C LIG 1 -6.089 -1.919 0.711 0.00 0.00 +0.046 C ATOM 28 C LIG 1 -6.497 0.320 -0.251 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -6.188 1.650 -0.530 0.00 0.00 -0.050 A ATOM 30 C LIG 1 -7.202 2.553 -1.167 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -4.954 2.149 -0.120 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -3.994 1.331 0.510 0.00 0.00 -0.023 A ATOM 33 C LIG 1 -2.742 2.030 0.980 0.00 0.00 +0.046 C ENDBRANCH 22 25 ENDBRANCH 21 22 BRANCH 21 34 ATOM 34 C LIG 1 -2.750 -2.927 -0.575 0.00 0.00 +0.251 C BRANCH 34 35 ATOM 35 C LIG 1 -2.898 -4.177 0.258 0.00 0.00 +0.324 C ATOM 36 O LIG 1 -3.807 -4.989 0.160 0.00 0.00 -0.249 OA BRANCH 35 37 ATOM 37 O LIG 1 -1.873 -4.399 1.106 0.00 0.00 -0.479 OA ATOM 38 H LIG 1 -2.156 -5.176 1.631 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 21 34 ENDBRANCH 6 21 TORSDOF 10