REMARK Name = BDB063456 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.572 0.542 1.753 0.00 0.00 -0.281 N ATOM 2 H LIG 1 -1.212 0.737 2.677 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -3.588 -0.005 2.969 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -2.917 0.136 1.731 0.00 0.00 +0.076 A ATOM 5 C LIG 1 -3.624 -0.145 0.554 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -4.964 -0.567 0.578 0.00 0.00 +0.019 A ATOM 7 C LIG 1 -5.605 -0.692 1.816 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -4.923 -0.414 3.004 0.00 0.00 +0.048 A BRANCH 6 9 ATOM 9 C LIG 1 -5.653 -0.852 -0.686 0.00 0.00 +0.139 A ATOM 10 N LIG 1 -6.755 -1.671 -0.797 0.00 0.00 -0.338 N ATOM 11 H LIG 1 -7.191 -2.170 -0.038 0.00 0.00 +0.167 HD ATOM 12 C LIG 1 -7.141 -1.726 -2.111 0.00 0.00 +0.066 A ATOM 13 C LIG 1 -6.219 -0.921 -2.766 0.00 0.00 +0.089 A ATOM 14 C LIG 1 -6.319 -0.754 -4.154 0.00 0.00 +0.030 A ATOM 15 C LIG 1 -7.352 -1.410 -4.836 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -8.265 -2.215 -4.149 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -8.179 -2.394 -2.763 0.00 0.00 +0.028 A ATOM 18 N LIG 1 -5.312 -0.399 -1.880 0.00 0.00 -0.228 NA ENDBRANCH 6 9 BRANCH 3 20 ATOM 19 C LIG 1 -3.460 0.175 5.349 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -2.829 0.291 4.080 0.00 0.00 -0.493 OA ENDBRANCH 3 20 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 C LIG 1 -0.591 0.744 0.792 0.00 0.00 +0.221 A ATOM 22 N LIG 1 0.594 1.163 1.268 0.00 0.00 -0.199 NA ATOM 23 C LIG 1 1.610 1.371 0.404 0.00 0.00 +0.130 A ATOM 24 C LIG 1 1.425 1.188 -0.954 0.00 0.00 +0.064 A ATOM 25 C LIG 1 0.187 0.759 -1.356 0.00 0.00 +0.118 A ATOM 26 N LIG 1 -0.823 0.528 -0.507 0.00 0.00 -0.223 NA BRANCH 23 27 ATOM 27 N LIG 1 2.870 1.838 0.876 0.00 0.00 -0.288 N ATOM 28 C LIG 1 2.912 1.986 2.337 0.00 0.00 +0.137 C BRANCH 27 29 ATOM 29 C LIG 1 4.141 1.424 0.364 0.00 0.00 +0.037 A ATOM 30 C LIG 1 4.355 0.077 -0.028 0.00 0.00 +0.053 A ATOM 31 C LIG 1 5.646 -0.189 -0.513 0.00 0.00 +0.095 A ATOM 32 C LIG 1 6.643 0.850 -0.586 0.00 0.00 +0.023 A ATOM 33 C LIG 1 7.787 0.283 -1.093 0.00 0.00 +0.044 A ATOM 34 N LIG 1 7.440 -1.030 -1.308 0.00 0.00 -0.270 N ATOM 35 C LIG 1 8.287 -2.074 -1.841 0.00 0.00 +0.172 C ATOM 36 C LIG 1 9.134 0.826 -1.394 0.00 0.00 +0.066 C ATOM 37 C LIG 1 6.484 2.179 -0.212 0.00 0.00 +0.013 A ATOM 38 N LIG 1 6.174 -1.338 -0.962 0.00 0.00 -0.171 NA ATOM 39 C LIG 1 5.179 2.420 0.269 0.00 0.00 +0.024 A ENDBRANCH 27 29 ENDBRANCH 23 27 ENDBRANCH 1 21 TORSDOF 6