REMARK Name = BDB022610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.152 -1.958 1.113 0.00 0.00 +0.139 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.726 -1.484 -1.368 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.997 -1.579 -0.172 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -0.374 -1.886 -0.178 0.00 0.00 -0.029 A ATOM 5 C LIG 1 -1.019 -2.080 -1.404 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.303 -1.988 -2.595 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.063 -1.695 -2.577 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 4.014 -1.024 -2.287 0.00 0.00 +0.220 C ATOM 9 N LIG 1 3.098 -1.174 -1.260 0.00 0.00 -0.285 N ATOM 10 H LIG 1 3.439 -1.028 -0.320 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 3.786 -1.146 -3.487 0.00 0.00 -0.275 OA BRANCH 8 15 ATOM 12 C LIG 1 7.811 -0.078 -0.380 0.00 0.00 +0.073 C ATOM 13 C LIG 1 6.561 0.719 0.009 0.00 0.00 +0.023 C ATOM 14 C LIG 1 5.497 0.667 -1.091 0.00 0.00 +0.014 C ATOM 15 C LIG 1 5.430 -0.690 -1.812 0.00 0.00 +0.075 C ATOM 16 C LIG 1 6.017 -1.822 -0.964 0.00 0.00 +0.014 C ATOM 17 C LIG 1 7.482 -1.564 -0.602 0.00 0.00 +0.023 C BRANCH 12 19 ATOM 18 C LIG 1 9.666 1.184 0.649 0.00 0.00 +0.237 C ATOM 19 N LIG 1 8.860 0.071 0.618 0.00 0.00 -0.309 N ATOM 20 H LIG 1 8.866 -0.559 1.408 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 9.630 2.087 -0.175 0.00 0.00 -0.271 OA BRANCH 18 23 ATOM 22 C LIG 1 11.412 2.230 2.018 0.00 0.00 +0.013 C ATOM 23 C LIG 1 10.593 1.191 1.810 0.00 0.00 +0.059 C ENDBRANCH 18 23 ENDBRANCH 12 19 ENDBRANCH 8 15 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N LIG 1 -1.651 -0.651 1.469 0.00 0.00 -0.309 N ATOM 25 H LIG 1 -0.931 0.067 1.560 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.822 -0.147 0.931 0.00 0.00 +0.221 A ATOM 27 N LIG 1 -2.936 1.244 0.827 0.00 0.00 -0.183 N ATOM 28 C LIG 1 -4.052 1.824 0.303 0.00 0.00 +0.166 A ATOM 29 C LIG 1 -3.817 3.185 0.339 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -2.516 3.295 0.903 0.00 0.00 +0.141 A ATOM 31 N LIG 1 -5.079 1.045 -0.120 0.00 0.00 -0.195 NA ATOM 32 C LIG 1 -4.933 -0.253 -0.009 0.00 0.00 +0.220 A ATOM 33 N LIG 1 -1.967 2.112 1.204 0.00 0.00 -0.170 NA ATOM 34 N LIG 1 -3.817 -0.876 0.516 0.00 0.00 -0.181 NA BRANCH 29 35 ATOM 35 C LIG 1 -4.730 4.280 -0.123 0.00 0.00 +0.018 C ATOM 36 C LIG 1 -4.120 5.072 -1.281 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -5.114 5.216 1.024 0.00 0.00 +0.012 C ENDBRANCH 29 35 BRANCH 32 38 ATOM 38 N LIG 1 -5.970 -1.026 -0.442 0.00 0.00 -0.310 N ATOM 39 H LIG 1 -6.804 -0.474 -0.623 0.00 0.00 +0.149 HD BRANCH 38 40 ATOM 40 C LIG 1 -6.221 -2.381 0.022 0.00 0.00 +0.077 C ATOM 41 C LIG 1 -6.765 -2.368 1.448 0.00 0.00 +0.050 C ATOM 42 C LIG 1 -8.150 -1.729 1.522 0.00 0.00 +0.161 C ATOM 43 O LIG 1 -8.865 -1.786 0.285 0.00 0.00 -0.380 OA ATOM 44 C LIG 1 -8.647 -3.005 -0.414 0.00 0.00 +0.161 C ATOM 45 C LIG 1 -7.212 -3.072 -0.926 0.00 0.00 +0.050 C ENDBRANCH 38 40 ENDBRANCH 32 38 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10