REMARK Name = BDB005154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.657 0.921 1.141 0.00 0.00 +0.128 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.610 0.126 1.472 0.00 0.00 -0.023 A ATOM 3 C LIG 1 1.776 0.155 0.685 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.908 -0.589 1.034 0.00 0.00 +0.034 A ATOM 5 C LIG 1 2.870 -1.385 2.184 0.00 0.00 +0.023 A ATOM 6 C LIG 1 1.723 -1.434 2.975 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.604 -0.683 2.622 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 4.111 -0.590 0.293 0.00 0.00 -0.281 N ATOM 9 H LIG 1 4.825 -1.219 0.632 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 4.389 0.115 -0.865 0.00 0.00 +0.248 C ATOM 11 O LIG 1 3.633 0.851 -1.487 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 5.765 -0.088 -1.404 0.00 0.00 +0.037 A ATOM 13 C LIG 1 5.938 -0.117 -2.794 0.00 0.00 +0.014 A ATOM 14 C LIG 1 7.211 -0.301 -3.340 0.00 0.00 +0.016 A ATOM 15 C LIG 1 8.310 -0.444 -2.495 0.00 0.00 +0.018 A ATOM 16 BR LIG 1 10.033 -0.690 -3.232 0.00 0.00 -0.050 Br ATOM 17 C LIG 1 8.151 -0.397 -1.110 0.00 0.00 +0.016 A ATOM 18 C LIG 1 6.878 -0.214 -0.561 0.00 0.00 +0.014 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 -1.687 -0.062 0.759 0.00 0.00 -0.319 N ATOM 20 H LIG 1 -1.518 -0.305 -0.220 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 C LIG 1 -3.032 0.327 0.906 0.00 0.00 +0.130 A ATOM 22 C LIG 1 -4.054 -0.540 0.464 0.00 0.00 +0.041 A ATOM 23 C LIG 1 -5.380 -0.097 0.640 0.00 0.00 +0.088 A ATOM 24 C LIG 1 -6.415 -0.944 0.189 0.00 0.00 +0.063 A ATOM 25 C LIG 1 -6.137 -2.191 -0.404 0.00 0.00 +0.015 A ATOM 26 C LIG 1 -4.830 -2.624 -0.558 0.00 0.00 +0.002 A ATOM 27 N LIG 1 -5.628 1.095 1.228 0.00 0.00 -0.235 NA ATOM 28 C LIG 1 -4.583 1.822 1.639 0.00 0.00 +0.223 A ATOM 29 C LIG 1 -3.797 -1.804 -0.125 0.00 0.00 +0.013 A ATOM 30 N LIG 1 -3.299 1.496 1.509 0.00 0.00 -0.220 NA BRANCH 24 31 ATOM 31 C LIG 1 -7.867 -0.597 0.304 0.00 0.00 +0.244 C ATOM 32 O LIG 1 -8.745 -1.379 -0.046 0.00 0.00 -0.270 OA ATOM 33 N LIG 1 -8.207 0.621 0.812 0.00 0.00 -0.325 N ATOM 34 H LIG 1 -7.494 1.253 1.166 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 -9.184 0.843 0.938 0.00 0.00 +0.145 HD ENDBRANCH 24 31 ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 36 ATOM 36 C LIG 1 -0.507 1.989 0.023 0.00 0.00 +0.186 C BRANCH 36 38 ATOM 37 C LIG 1 -0.144 2.280 -2.296 0.00 0.00 +0.194 C ATOM 38 O LIG 1 -0.462 1.352 -1.268 0.00 0.00 -0.381 OA ENDBRANCH 36 38 ENDBRANCH 1 36 TORSDOF 8