REMARK Name = BDB024167 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.395 0.216 0.189 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.574 -1.113 0.910 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.465 -1.202 2.307 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.586 -2.433 2.953 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.814 -3.590 2.211 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.923 -3.519 0.824 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.803 -2.289 0.175 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.097 0.696 0.107 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -1.046 -0.306 0.193 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.735 -1.234 0.439 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.324 1.896 -0.069 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.429 -0.136 0.065 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -2.954 1.047 -0.269 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 -4.306 1.129 -0.381 0.00 0.00 +0.136 A ATOM 15 C LIG 1 -5.215 0.087 -0.185 0.00 0.00 +0.048 A ATOM 16 C LIG 1 -4.619 -1.129 0.154 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -3.230 -1.249 0.280 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 -6.574 0.231 -0.316 0.00 0.00 -0.329 N ATOM 19 C LIG 1 -7.553 -0.798 0.024 0.00 0.00 +0.105 C ATOM 20 C LIG 1 -8.884 -0.050 0.038 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -8.673 1.049 -0.989 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -7.223 1.465 -0.754 0.00 0.00 +0.105 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 23 ATOM 23 N LIG 1 2.186 1.298 0.834 0.00 0.00 -0.302 NA ATOM 24 H LIG 1 1.645 2.161 0.685 0.00 0.00 +0.123 HD BRANCH 23 25 ATOM 25 C LIG 1 3.509 1.499 0.231 0.00 0.00 +0.086 C BRANCH 25 26 ATOM 26 C LIG 1 4.521 0.388 0.541 0.00 0.00 +0.050 C BRANCH 26 30 ATOM 27 C LIG 1 8.460 1.425 -0.898 0.00 0.00 +0.052 A ATOM 28 C LIG 1 8.081 1.752 0.407 0.00 0.00 +0.019 A ATOM 29 C LIG 1 6.808 1.412 0.873 0.00 0.00 +0.005 A ATOM 30 C LIG 1 5.904 0.739 0.040 0.00 0.00 -0.046 A ATOM 31 C LIG 1 6.288 0.420 -1.269 0.00 0.00 +0.005 A ATOM 32 C LIG 1 7.560 0.759 -1.736 0.00 0.00 +0.019 A BRANCH 27 34 ATOM 33 N LIG 1 10.823 2.052 -1.766 0.00 0.00 -0.191 NA ATOM 34 C LIG 1 9.766 1.772 -1.377 0.00 0.00 +0.099 C ENDBRANCH 27 34 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 9