REMARK Name = BDB029648 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.373 -1.266 0.327 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 -1.861 -0.004 -0.260 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -0.429 -0.099 -0.836 0.00 0.00 +0.120 C ATOM 4 N LIG 1 0.527 -0.484 0.219 0.00 0.00 -0.326 N ATOM 5 C LIG 1 -0.001 -1.330 1.301 0.00 0.00 +0.120 C ATOM 6 C LIG 1 -1.266 -2.096 0.848 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 1.871 -0.169 0.129 0.00 0.00 +0.048 A ATOM 8 C LIG 1 2.487 0.259 -1.054 0.00 0.00 +0.134 A ATOM 9 N LIG 1 3.796 0.588 -1.203 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 4.570 0.496 -0.101 0.00 0.00 +0.125 A ATOM 11 C LIG 1 4.082 0.090 1.132 0.00 0.00 +0.035 A ATOM 12 C LIG 1 2.728 -0.241 1.236 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 6.014 0.862 -0.266 0.00 0.00 +0.263 C ATOM 14 N LIG 1 6.921 0.051 0.403 0.00 0.00 -0.305 N ATOM 15 H LIG 1 6.596 -0.842 0.748 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 6.361 1.812 -0.958 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 8.357 0.241 0.224 0.00 0.00 +0.099 C ATOM 18 C LIG 1 8.854 1.588 0.803 0.00 0.00 +0.182 C ATOM 19 O LIG 1 10.130 1.488 1.453 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 11.054 0.731 0.680 0.00 0.00 +0.160 C ATOM 21 C LIG 1 10.642 -0.737 0.665 0.00 0.00 +0.030 C ATOM 22 C LIG 1 9.136 -0.922 0.840 0.00 0.00 +0.027 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 -3.389 -1.007 1.360 0.00 0.00 +0.121 C BRANCH 23 33 ATOM 24 C LIG 1 -8.880 0.932 -1.560 0.00 0.00 +0.019 A ATOM 25 C LIG 1 -8.429 -0.344 -2.209 0.00 0.00 +0.252 A ATOM 26 O LIG 1 -9.052 -0.858 -3.132 0.00 0.00 -0.268 OA ATOM 27 N LIG 1 -7.281 -0.917 -1.724 0.00 0.00 -0.321 N ATOM 28 H LIG 1 -6.990 -1.776 -2.171 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 -6.528 -0.363 -0.683 0.00 0.00 +0.068 A ATOM 30 C LIG 1 -6.936 0.828 -0.088 0.00 0.00 +0.088 A ATOM 31 N LIG 1 -6.269 1.431 0.919 0.00 0.00 -0.253 NA ATOM 32 C LIG 1 -5.142 0.813 1.345 0.00 0.00 +0.116 A ATOM 33 C LIG 1 -4.646 -0.378 0.813 0.00 0.00 -0.013 A ATOM 34 C LIG 1 -5.370 -0.977 -0.226 0.00 0.00 +0.034 A ATOM 35 C LIG 1 -8.152 1.474 -0.567 0.00 0.00 +0.038 A BRANCH 24 37 ATOM 36 C LIG 1 -11.393 0.884 -1.589 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -10.132 1.571 -2.095 0.00 0.00 +0.037 C ENDBRANCH 24 37 ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 6