REMARK Name = BDB029643 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.829 1.399 -0.894 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 1.196 0.167 -0.365 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -0.257 0.355 0.129 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -1.118 0.816 -0.974 0.00 0.00 -0.326 N ATOM 5 C LIG 1 -0.472 1.652 -2.001 0.00 0.00 +0.120 C ATOM 6 C LIG 1 0.815 2.317 -1.457 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.487 0.615 -0.964 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -3.203 0.231 0.180 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -4.543 0.011 0.254 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 -5.236 0.180 -0.901 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -4.650 0.555 -2.097 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -3.269 0.768 -2.118 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 -6.714 -0.055 -0.829 0.00 0.00 +0.263 C ATOM 14 N LIG 1 -7.163 -0.470 0.408 0.00 0.00 -0.305 N ATOM 15 H LIG 1 -6.468 -0.450 1.152 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -7.447 0.128 -1.794 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -8.571 -0.584 0.710 0.00 0.00 +0.101 C ATOM 18 C LIG 1 -9.280 0.754 0.911 0.00 0.00 +0.182 C ATOM 19 O LIG 1 -10.306 0.552 1.901 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -10.233 -0.807 2.349 0.00 0.00 +0.162 C ATOM 21 C LIG 1 -8.838 -1.288 2.021 0.00 0.00 +0.052 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 C LIG 1 2.880 1.088 -1.876 0.00 0.00 +0.121 C BRANCH 22 32 ATOM 23 C LIG 1 8.039 -1.310 1.300 0.00 0.00 +0.019 A ATOM 24 C LIG 1 7.650 -0.014 1.947 0.00 0.00 +0.252 A ATOM 25 O LIG 1 8.256 0.436 2.914 0.00 0.00 -0.268 OA ATOM 26 N LIG 1 6.578 0.654 1.411 0.00 0.00 -0.321 N ATOM 27 H LIG 1 6.330 1.526 1.857 0.00 0.00 +0.169 HD ATOM 28 C LIG 1 5.845 0.175 0.321 0.00 0.00 +0.068 A ATOM 29 C LIG 1 6.193 -1.035 -0.275 0.00 0.00 +0.088 A ATOM 30 N LIG 1 5.539 -1.570 -1.327 0.00 0.00 -0.253 NA ATOM 31 C LIG 1 4.488 -0.861 -1.802 0.00 0.00 +0.116 A ATOM 32 C LIG 1 4.055 0.356 -1.275 0.00 0.00 -0.013 A ATOM 33 C LIG 1 4.764 0.883 -0.187 0.00 0.00 +0.034 A ATOM 34 C LIG 1 7.329 -1.780 0.258 0.00 0.00 +0.038 A BRANCH 23 36 ATOM 35 C LIG 1 10.543 -1.454 1.466 0.00 0.00 +0.009 C ATOM 36 C LIG 1 9.207 -2.051 1.889 0.00 0.00 +0.037 C ENDBRANCH 23 36 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 6