REMARK Name = BDB039511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.123 1.092 0.740 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -1.850 2.222 0.584 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -3.183 2.039 0.648 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -3.857 0.839 0.854 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -5.250 1.135 0.804 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -5.388 2.487 0.566 0.00 0.00 +0.089 A ATOM 7 C LIG 1 -3.089 -0.329 1.040 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -4.129 3.025 0.521 0.00 0.00 -0.324 N ATOM 9 C LIG 1 -1.692 -0.164 0.974 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 4.797 0.545 -0.489 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.541 1.650 0.311 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.339 2.448 0.762 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.091 1.688 0.527 0.00 0.00 +0.042 A ATOM 14 C LIG 1 2.531 0.569 -0.083 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.162 0.352 -0.028 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.342 1.279 0.653 0.00 0.00 +0.001 A ATOM 17 C LIG 1 0.953 2.413 1.252 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.334 2.624 1.199 0.00 0.00 +0.014 A ATOM 19 C LIG 1 3.600 -0.253 -0.722 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 8.995 -2.807 -1.555 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 8.220 -1.891 -1.294 0.00 0.00 +0.219 C ATOM 22 N LIG 1 7.687 -1.752 -0.038 0.00 0.00 -0.255 N ATOM 23 H LIG 1 7.917 -2.502 0.601 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.528 -1.075 0.268 0.00 0.00 +0.240 C ATOM 25 O LIG 1 5.868 -1.391 1.255 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.150 0.051 -0.710 0.00 0.00 +0.163 C ATOM 27 C LIG 1 6.365 -0.443 -2.138 0.00 0.00 +0.041 C ATOM 28 C LIG 1 7.818 -0.855 -2.317 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 -3.825 4.429 0.209 0.00 0.00 +0.140 C ATOM 30 C LIG 1 -2.747 5.056 1.103 0.00 0.00 +0.187 C ATOM 31 O LIG 1 -3.599 6.208 1.358 0.00 0.00 -0.376 OA ATOM 32 C LIG 1 -4.745 5.449 0.890 0.00 0.00 +0.187 C ENDBRANCH 8 29 BRANCH 7 33 ATOM 33 C LIG 1 -3.687 -1.696 1.287 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -4.279 -2.265 0.067 0.00 0.00 -0.297 NA ATOM 35 C LIG 1 -4.860 -3.598 0.345 0.00 0.00 +0.091 C ATOM 36 C LIG 1 -3.559 -4.262 -0.148 0.00 0.00 +0.042 C ATOM 37 C LIG 1 -3.253 -2.897 -0.795 0.00 0.00 +0.091 C BRANCH 36 38 ATOM 38 C LIG 1 -3.720 -5.438 -1.087 0.00 0.00 +0.161 C BRANCH 38 39 ATOM 39 O LIG 1 -2.438 -5.792 -1.591 0.00 0.00 -0.395 OA ATOM 40 H LIG 1 -2.566 -6.554 -2.183 0.00 0.00 +0.209 HD ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 7