REMARK Name = BDB024348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.759 -0.714 -1.033 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.941 -2.218 -0.877 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.457 -2.906 0.248 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.633 -4.286 0.370 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.289 -4.997 -0.632 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.768 -4.331 -1.758 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.593 -2.951 -1.882 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.288 -0.381 -1.406 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.464 -0.001 -0.317 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.043 0.096 0.558 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.116 -0.480 -2.563 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.810 0.333 -0.246 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.210 0.723 0.981 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.511 1.061 1.140 0.00 0.00 +0.116 A ATOM 15 C LIG 1 4.471 1.017 0.134 0.00 0.00 -0.024 A ATOM 16 C LIG 1 4.017 0.632 -1.129 0.00 0.00 +0.009 A ATOM 17 C LIG 1 2.679 0.279 -1.322 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.899 1.438 0.384 0.00 0.00 +0.046 C ATOM 19 C LIG 1 6.460 1.089 1.765 0.00 0.00 +0.116 C ATOM 20 N LIG 1 7.885 1.158 1.574 0.00 0.00 -0.304 N ATOM 21 C LIG 1 8.810 1.005 2.672 0.00 0.00 +0.132 C ATOM 22 C LIG 1 8.230 0.905 0.254 0.00 0.00 +0.216 C ATOM 23 O LIG 1 9.352 0.720 -0.186 0.00 0.00 -0.276 OA ATOM 24 C LIG 1 6.956 0.827 -0.551 0.00 0.00 +0.105 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.174 -0.002 0.209 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -3.010 -0.472 0.565 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.513 1.415 -0.025 0.00 0.00 +0.089 C BRANCH 27 29 ATOM 28 C LIG 1 -4.110 3.181 -0.881 0.00 0.00 +0.014 C ATOM 29 C LIG 1 -3.869 1.674 -0.734 0.00 0.00 +0.030 C BRANCH 29 30 ATOM 30 C LIG 1 -5.042 0.999 -0.036 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -5.412 1.338 1.274 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.480 0.691 1.903 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -7.191 -0.307 1.230 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -6.829 -0.653 -0.074 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.763 -0.004 -0.702 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -8.285 -0.971 1.875 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -9.172 -1.508 2.398 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9