REMARK Name = BDB035232 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.440 -2.887 0.169 0.00 0.00 -0.343 N ATOM 2 H LIG 1 3.119 -2.551 -0.527 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 13 ATOM 3 C LIG 1 6.179 2.120 2.315 0.00 0.00 +0.086 C ATOM 4 C LIG 1 5.194 1.033 1.948 0.00 0.00 +0.111 A ATOM 5 N LIG 1 5.324 0.315 0.778 0.00 0.00 -0.284 N ATOM 6 C LIG 1 4.395 -0.689 0.464 0.00 0.00 +0.264 A ATOM 7 O LIG 1 4.404 -1.295 -0.611 0.00 0.00 -0.267 OA ATOM 8 C LIG 1 3.327 -0.980 1.450 0.00 0.00 +0.086 A ATOM 9 C LIG 1 3.293 -0.152 2.571 0.00 0.00 +0.080 A ATOM 10 C LIG 1 2.293 -0.334 3.528 0.00 0.00 +0.029 A ATOM 11 C LIG 1 1.342 -1.336 3.372 0.00 0.00 +0.004 A ATOM 12 C LIG 1 1.386 -2.167 2.252 0.00 0.00 +0.024 A ATOM 13 C LIG 1 2.361 -2.002 1.255 0.00 0.00 +0.042 A ATOM 14 N LIG 1 4.233 0.855 2.795 0.00 0.00 -0.234 NA BRANCH 5 15 ATOM 15 C LIG 1 6.367 0.550 -0.243 0.00 0.00 +0.178 C ATOM 16 C LIG 1 7.771 0.171 0.234 0.00 0.00 +0.242 C ATOM 17 O LIG 1 7.997 -0.553 1.199 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 8.807 0.673 -0.525 0.00 0.00 -0.255 N ATOM 19 H LIG 1 9.738 0.417 -0.222 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 8.739 1.592 -1.544 0.00 0.00 +0.219 C ATOM 21 O LIG 1 9.759 2.031 -2.064 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 7.355 1.988 -2.014 0.00 0.00 +0.099 C ATOM 23 C LIG 1 6.346 1.943 -0.874 0.00 0.00 +0.044 C ENDBRANCH 5 15 ENDBRANCH 1 13 BRANCH 1 24 ATOM 24 C LIG 1 1.244 -3.451 -0.450 0.00 0.00 +0.101 C BRANCH 24 25 ATOM 25 C LIG 1 0.362 -2.390 -1.114 0.00 0.00 +0.019 C BRANCH 25 26 ATOM 26 C LIG 1 1.052 -1.675 -2.279 0.00 0.00 +0.002 C BRANCH 26 27 ATOM 27 C LIG 1 0.126 -0.742 -3.070 0.00 0.00 +0.000 C BRANCH 27 28 ATOM 28 C LIG 1 0.159 0.728 -2.637 0.00 0.00 +0.001 C BRANCH 28 29 ATOM 29 C LIG 1 -0.416 1.088 -1.261 0.00 0.00 +0.015 C BRANCH 29 30 ATOM 30 C LIG 1 -1.947 1.005 -1.151 0.00 0.00 +0.081 C BRANCH 30 31 ATOM 31 N LIG 1 -2.398 -0.372 -1.068 0.00 0.00 -0.313 NA ATOM 32 H LIG 1 -2.087 -0.776 -0.185 0.00 0.00 +0.122 HD BRANCH 31 33 ATOM 33 C LIG 1 -3.828 -0.650 -1.274 0.00 0.00 +0.057 C ATOM 34 C LIG 1 -4.218 -0.332 -2.728 0.00 0.00 +0.024 C BRANCH 33 35 ATOM 35 C LIG 1 -4.846 -0.112 -0.198 0.00 0.00 -0.013 C ATOM 36 C LIG 1 -5.189 1.396 -0.341 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -6.205 1.842 0.731 0.00 0.00 -0.010 C ATOM 38 C LIG 1 -5.622 1.584 2.128 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -5.331 0.086 2.307 0.00 0.00 -0.010 C ATOM 40 C LIG 1 -6.630 -0.712 2.132 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -7.212 -0.460 0.735 0.00 0.00 -0.010 C ATOM 42 C LIG 1 -7.503 1.038 0.565 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -4.312 -0.360 1.245 0.00 0.00 +0.012 C ATOM 44 C LIG 1 -6.191 -0.899 -0.330 0.00 0.00 +0.012 C ENDBRANCH 33 35 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 12