REMARK Name = BDB000209 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.197 -0.863 -0.874 0.00 0.00 +0.159 C ATOM 2 C LIG 1 0.854 -1.261 -0.226 0.00 0.00 +0.237 C ATOM 3 O LIG 1 0.444 -0.626 0.753 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 0.103 -2.299 -0.789 0.00 0.00 -0.285 N ATOM 5 C LIG 1 0.723 -3.485 -1.383 0.00 0.00 +0.077 C ATOM 6 C LIG 1 0.831 -4.454 -0.192 0.00 0.00 +0.025 C ATOM 7 C LIG 1 -0.284 -4.004 0.780 0.00 0.00 +0.034 C ATOM 8 C LIG 1 1.938 -3.348 -2.289 0.00 0.00 +0.022 C ATOM 9 C LIG 1 3.272 -3.050 -1.622 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -0.979 -2.856 0.046 0.00 0.00 +0.162 C ATOM 11 C LIG 1 3.251 -1.931 -0.593 0.00 0.00 +0.032 C ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 3.466 1.275 -0.900 0.00 0.00 +0.231 C ATOM 13 N LIG 1 2.611 0.402 -0.271 0.00 0.00 -0.303 N ATOM 14 H LIG 1 1.986 0.825 0.416 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 4.017 1.008 -1.966 0.00 0.00 -0.274 OA BRANCH 12 16 ATOM 16 C LIG 1 3.736 2.590 -0.121 0.00 0.00 +0.140 C BRANCH 16 17 ATOM 17 N LIG 1 2.650 2.793 0.883 0.00 0.00 -0.309 NA ATOM 18 H LIG 1 2.893 2.283 1.735 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 2.480 4.203 1.212 0.00 0.00 +0.101 C ENDBRANCH 16 17 BRANCH 16 21 ATOM 20 C LIG 1 6.279 2.565 -0.389 0.00 0.00 +0.006 C ATOM 21 C LIG 1 5.104 2.508 0.580 0.00 0.00 +0.025 C ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 1 13 BRANCH 10 22 ATOM 22 C LIG 1 -1.920 -1.972 0.885 0.00 0.00 +0.234 C ATOM 23 N LIG 1 -2.353 -0.849 0.206 0.00 0.00 -0.303 N ATOM 24 H LIG 1 -1.711 -0.515 -0.502 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 -2.363 -2.327 1.974 0.00 0.00 -0.274 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.131 0.176 0.882 0.00 0.00 +0.134 C BRANCH 26 27 ATOM 27 C LIG 1 -4.615 -0.173 0.980 0.00 0.00 -0.023 A ATOM 28 C LIG 1 -5.257 -0.998 0.040 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -6.622 -1.274 0.146 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -7.367 -0.726 1.188 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.749 0.099 2.125 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.385 0.377 2.021 0.00 0.00 +0.006 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -2.841 1.524 0.221 0.00 0.00 -0.023 A ATOM 34 C LIG 1 -3.670 2.090 -0.761 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -3.330 3.300 -1.371 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.151 3.954 -1.023 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -1.308 3.399 -0.065 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -1.648 2.194 0.551 0.00 0.00 +0.006 A ENDBRANCH 26 33 ENDBRANCH 23 26 ENDBRANCH 10 22 TORSDOF 8