REMARK Name = BDB021576 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.166 0.048 -1.025 0.00 0.00 +0.124 A ATOM 2 C LIG 1 2.309 -0.158 0.051 0.00 0.00 +0.092 A ATOM 3 C LIG 1 0.943 0.204 -0.003 0.00 0.00 +0.136 A ATOM 4 O LIG 1 0.321 -0.098 1.174 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -0.809 0.686 1.510 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -1.988 0.252 0.669 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -2.068 1.015 -0.565 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -1.019 1.142 -1.472 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -1.264 1.583 -2.602 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.404 0.756 -1.171 0.00 0.00 +0.079 A ATOM 11 C LIG 1 1.297 0.967 -2.248 0.00 0.00 +0.020 A ATOM 12 C LIG 1 2.651 0.626 -2.175 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 4.497 -0.244 -1.079 0.00 0.00 -0.489 OA BRANCH 13 17 ATOM 14 N LIG 1 7.876 -0.581 0.716 0.00 0.00 -0.296 NA ATOM 15 C LIG 1 7.593 -0.993 -0.673 0.00 0.00 +0.060 C ATOM 16 C LIG 1 6.275 -1.790 -0.625 0.00 0.00 +0.063 C ATOM 17 C LIG 1 5.098 -1.003 -0.016 0.00 0.00 +0.176 C ATOM 18 C LIG 1 5.550 -0.071 1.123 0.00 0.00 +0.063 C ATOM 19 C LIG 1 7.463 0.319 -1.453 0.00 0.00 +0.020 C ATOM 20 C LIG 1 7.033 1.345 -0.406 0.00 0.00 +0.020 C ATOM 21 C LIG 1 6.942 0.548 0.897 0.00 0.00 +0.060 C BRANCH 14 23 ATOM 22 C LIG 1 10.195 -1.404 1.006 0.00 0.00 +0.020 C ATOM 23 C LIG 1 9.274 -0.190 0.948 0.00 0.00 +0.081 C ENDBRANCH 14 23 ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 7 24 ATOM 24 C LIG 1 -3.428 1.370 -1.024 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 -4.054 0.280 -1.922 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 -3.623 0.429 -3.284 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -2.716 0.809 -3.261 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -5.597 0.352 -1.915 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -6.216 0.130 -0.593 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -7.627 0.571 -0.629 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -8.396 0.255 0.637 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -7.957 -0.752 1.513 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -8.702 -1.050 2.662 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -9.890 -0.369 2.926 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -10.338 0.616 2.050 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.656 -1.463 1.248 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -9.597 0.925 0.909 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -6.167 -1.288 -0.197 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 7 24 TORSDOF 8