REMARK Name = BDB014649 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.557 1.052 1.300 0.00 0.00 +0.324 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.011 1.231 1.738 0.00 0.00 +0.251 C ATOM 3 N LIG 1 -2.572 2.437 1.387 0.00 0.00 -0.310 N ATOM 4 H LIG 1 -2.083 2.979 0.680 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -2.615 0.371 2.375 0.00 0.00 -0.272 OA BRANCH 3 6 ATOM 6 C LIG 1 -3.971 2.752 1.610 0.00 0.00 +0.136 C BRANCH 6 7 ATOM 7 C LIG 1 -4.858 2.469 0.388 0.00 0.00 +0.145 C BRANCH 7 8 ATOM 8 O LIG 1 -4.350 3.193 -0.747 0.00 0.00 -0.389 OA ATOM 9 H LIG 1 -4.724 2.723 -1.520 0.00 0.00 +0.210 HD ENDBRANCH 7 8 BRANCH 7 10 ATOM 10 C LIG 1 -4.959 0.970 0.030 0.00 0.00 +0.117 C BRANCH 10 11 ATOM 11 N LIG 1 -5.750 0.752 -1.209 0.00 0.00 -0.295 NA ATOM 12 C LIG 1 -5.582 -0.634 -1.699 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -6.681 -1.591 -1.304 0.00 0.00 -0.030 A ATOM 14 C LIG 1 -8.008 -1.140 -1.400 0.00 0.00 -0.042 A ATOM 15 C LIG 1 -9.069 -2.009 -1.143 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -8.805 -3.327 -0.770 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -7.488 -3.777 -0.664 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -8.204 0.301 -1.787 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -6.426 -2.914 -0.938 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -7.168 1.149 -1.030 0.00 0.00 +0.089 C ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 6 7 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 O LIG 1 -0.218 1.992 0.283 0.00 0.00 -0.483 OA BRANCH 21 24 ATOM 22 C LIG 1 3.315 1.087 -0.433 0.00 0.00 +0.040 A ATOM 23 C LIG 1 2.055 1.054 0.185 0.00 0.00 +0.058 A ATOM 24 C LIG 1 1.045 1.918 -0.236 0.00 0.00 +0.122 A ATOM 25 C LIG 1 1.298 2.812 -1.280 0.00 0.00 +0.046 A ATOM 26 C LIG 1 2.543 2.838 -1.911 0.00 0.00 +0.004 A ATOM 27 C LIG 1 3.553 1.973 -1.492 0.00 0.00 +0.013 A BRANCH 22 30 ATOM 28 N LIG 1 5.669 0.541 -0.107 0.00 0.00 -0.310 N ATOM 29 H LIG 1 5.876 1.494 -0.368 0.00 0.00 +0.149 HD ATOM 30 C LIG 1 4.359 0.142 0.050 0.00 0.00 +0.244 C ATOM 31 O LIG 1 4.031 -0.909 0.590 0.00 0.00 -0.270 OA BRANCH 28 32 ATOM 32 C LIG 1 6.776 -0.275 0.369 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 C LIG 1 6.916 -0.234 1.901 0.00 0.00 +0.099 C BRANCH 33 34 ATOM 34 N LIG 1 8.168 -0.793 2.434 0.00 0.00 -0.312 NA ATOM 35 H LIG 1 8.165 -0.633 3.442 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 8.287 -2.244 2.199 0.00 0.00 +0.109 C BRANCH 36 37 ATOM 37 C LIG 1 9.437 -2.583 1.238 0.00 0.00 +0.174 C BRANCH 37 39 ATOM 38 C LIG 1 10.129 -2.565 -1.015 0.00 0.00 +0.194 C ATOM 39 O LIG 1 9.064 -2.303 -0.113 0.00 0.00 -0.382 OA ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 22 30 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 15