REMARK Name = BDB051382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.399 1.552 -0.581 0.00 0.00 +0.153 C ATOM 2 N LIG 1 0.012 0.979 -0.610 0.00 0.00 -0.261 NA ATOM 3 C LIG 1 -0.771 1.991 -0.322 0.00 0.00 +0.124 C ATOM 4 N LIG 1 -0.151 3.188 -0.007 0.00 0.00 -0.310 N ATOM 5 C LIG 1 1.284 2.930 0.070 0.00 0.00 +0.136 C ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 -2.227 1.775 -0.374 0.00 0.00 +0.018 A ATOM 7 C LIG 1 -2.821 0.893 0.525 0.00 0.00 +0.060 A ATOM 8 C LIG 1 -4.193 0.663 0.433 0.00 0.00 +0.163 A ATOM 9 C LIG 1 -4.979 1.304 -0.540 0.00 0.00 +0.162 A ATOM 10 C LIG 1 -4.360 2.166 -1.450 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -2.981 2.392 -1.375 0.00 0.00 +0.015 A BRANCH 9 12 ATOM 12 O LIG 1 -6.320 1.030 -0.506 0.00 0.00 -0.491 OA ATOM 13 C LIG 1 -7.087 1.398 -1.645 0.00 0.00 +0.277 C ENDBRANCH 9 12 BRANCH 8 14 ATOM 14 O LIG 1 -4.775 -0.178 1.349 0.00 0.00 -0.488 OA BRANCH 14 15 ATOM 15 C LIG 1 -4.764 -1.525 0.855 0.00 0.00 +0.231 C BRANCH 15 16 ATOM 16 C LIG 1 -5.809 -2.334 1.622 0.00 0.00 +0.069 C BRANCH 16 17 ATOM 17 C LIG 1 -7.237 -1.950 1.234 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 O LIG 1 -7.527 -2.276 -0.127 0.00 0.00 -0.383 OA ATOM 19 C LIG 1 -7.911 -3.631 -0.311 0.00 0.00 +0.193 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 3 6 BRANCH 4 20 ATOM 20 C LIG 1 -0.657 4.274 0.840 0.00 0.00 +0.069 C ATOM 21 C LIG 1 -1.074 3.780 2.223 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -1.763 5.077 0.166 0.00 0.00 +0.028 C ENDBRANCH 4 20 BRANCH 1 23 ATOM 23 C LIG 1 2.310 0.568 0.171 0.00 0.00 +0.141 C BRANCH 23 24 ATOM 24 O LIG 1 2.234 -0.703 -0.480 0.00 0.00 -0.390 OA ATOM 25 H LIG 1 1.300 -0.773 -0.772 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 3.768 1.050 0.236 0.00 0.00 +0.046 C BRANCH 26 27 ATOM 27 C LIG 1 4.803 -0.023 0.644 0.00 0.00 +0.074 C ATOM 28 C LIG 1 4.367 -0.794 1.890 0.00 0.00 +0.017 C BRANCH 27 31 ATOM 29 N LIG 1 5.640 -2.155 -0.300 0.00 0.00 -0.315 N ATOM 30 H LIG 1 5.484 -2.554 0.614 0.00 0.00 +0.149 HD ATOM 31 C LIG 1 5.208 -0.875 -0.571 0.00 0.00 +0.216 C ATOM 32 O LIG 1 5.270 -0.397 -1.704 0.00 0.00 -0.276 OA BRANCH 29 33 ATOM 33 C LIG 1 6.079 -3.049 -1.352 0.00 0.00 +0.104 C BRANCH 33 34 ATOM 34 C LIG 1 7.529 -2.803 -1.770 0.00 0.00 +0.018 C BRANCH 34 36 ATOM 35 C LIG 1 8.612 -4.348 -0.049 0.00 0.00 +0.004 C ATOM 36 C LIG 1 8.557 -2.950 -0.644 0.00 0.00 -0.002 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 TORSDOF 16