REMARK Name = BDB048725 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.337 -0.191 -0.508 0.00 0.00 -0.026 A ATOM 2 C LIG 1 -2.035 -1.527 -0.800 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.707 -1.950 -0.933 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.352 -1.053 -0.797 0.00 0.00 +0.121 A ATOM 5 C LIG 1 0.070 0.283 -0.532 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -1.259 0.708 -0.398 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -7.368 -0.190 -1.196 0.00 0.00 +0.059 C ATOM 8 C LIG 1 -6.160 0.242 -0.404 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.934 -0.642 -0.440 0.00 0.00 +0.164 C ATOM 10 C LIG 1 -3.761 0.337 -0.390 0.00 0.00 +0.124 C ATOM 11 N LIG 1 -3.941 1.218 0.737 0.00 0.00 -0.290 N ATOM 12 H LIG 1 -3.188 1.459 1.367 0.00 0.00 +0.151 HD ATOM 13 C LIG 1 -5.165 1.732 1.052 0.00 0.00 +0.324 C ATOM 14 O LIG 1 -5.267 2.502 1.999 0.00 0.00 -0.251 OA ATOM 15 N LIG 1 -6.228 1.341 0.282 0.00 0.00 -0.172 NA BRANCH 9 16 ATOM 16 C LIG 1 -5.026 -1.695 0.636 0.00 0.00 +0.315 C ATOM 17 O LIG 1 -5.862 -2.587 0.652 0.00 0.00 -0.250 OA BRANCH 16 18 ATOM 18 O LIG 1 -4.125 -1.611 1.625 0.00 0.00 -0.480 OA ATOM 19 H LIG 1 -4.354 -2.337 2.245 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 9 16 ENDBRANCH 1 10 BRANCH 4 20 ATOM 20 O LIG 1 1.590 -1.612 -0.947 0.00 0.00 -0.490 OA BRANCH 20 21 ATOM 21 C LIG 1 2.742 -0.769 -0.847 0.00 0.00 +0.250 C BRANCH 21 22 ATOM 22 C LIG 1 3.178 -0.615 0.607 0.00 0.00 +0.164 C BRANCH 22 23 ATOM 23 N LIG 1 4.184 0.414 0.774 0.00 0.00 -0.329 N ATOM 24 C LIG 1 5.498 0.290 0.401 0.00 0.00 +0.141 A ATOM 25 C LIG 1 6.143 1.480 0.726 0.00 0.00 +0.019 A ATOM 26 C LIG 1 7.512 1.578 0.429 0.00 0.00 +0.013 A ATOM 27 C LIG 1 8.124 0.477 -0.170 0.00 0.00 +0.020 A ATOM 28 C LIG 1 7.362 -0.651 -0.444 0.00 0.00 +0.113 A ATOM 29 C LIG 1 5.170 2.334 1.312 0.00 0.00 +0.029 A ATOM 30 N LIG 1 6.043 -0.797 -0.181 0.00 0.00 -0.237 NA ATOM 31 C LIG 1 3.970 1.652 1.329 0.00 0.00 +0.088 A ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 7