REMARK Name = BDB034631 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.782 -2.194 0.481 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -0.453 -2.549 0.796 0.00 0.00 -0.292 N ATOM 3 O LIG 1 -2.725 -2.567 1.193 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 0.790 -2.046 0.159 0.00 0.00 +0.091 C ATOM 5 C LIG 1 0.898 -0.511 0.149 0.00 0.00 +0.037 C ATOM 6 C LIG 1 2.243 -0.027 -0.438 0.00 0.00 +0.091 C ATOM 7 C LIG 1 2.794 -0.989 -1.505 0.00 0.00 +0.093 C ATOM 8 N LIG 1 1.756 -1.775 -2.175 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 1.020 -1.155 -2.518 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 1.125 -2.694 -1.210 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 3.295 0.153 0.660 0.00 0.00 +0.220 C ATOM 12 N LIG 1 4.440 0.878 0.371 0.00 0.00 -0.296 N ATOM 13 C LIG 1 4.733 1.604 -0.870 0.00 0.00 +0.142 C ATOM 14 C LIG 1 5.530 2.914 -0.623 0.00 0.00 +0.080 C ATOM 15 C LIG 1 6.053 3.449 -1.961 0.00 0.00 +0.043 C ATOM 16 C LIG 1 4.634 3.978 0.026 0.00 0.00 +0.043 C ATOM 17 O LIG 1 6.682 2.752 0.229 0.00 0.00 -0.371 OA ATOM 18 C LIG 1 6.802 1.464 0.838 0.00 0.00 +0.179 C ATOM 19 C LIG 1 5.475 0.965 1.404 0.00 0.00 +0.136 C ATOM 20 O LIG 1 3.142 -0.370 1.767 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 22 ATOM 21 C LIG 1 -3.190 -0.379 -0.536 0.00 0.00 +0.059 A ATOM 22 C LIG 1 -2.147 -1.317 -0.681 0.00 0.00 +0.146 A ATOM 23 N LIG 1 -1.496 -1.534 -1.851 0.00 0.00 -0.248 NA ATOM 24 C LIG 1 -1.877 -0.786 -2.913 0.00 0.00 +0.115 A ATOM 25 C LIG 1 -2.859 0.205 -2.902 0.00 0.00 -0.024 A ATOM 26 C LIG 1 -3.499 0.394 -1.666 0.00 0.00 +0.030 A BRANCH 25 27 ATOM 27 C LIG 1 -3.177 0.994 -4.157 0.00 0.00 +0.021 C ATOM 28 C LIG 1 -4.583 1.453 -4.459 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -3.532 2.459 -4.087 0.00 0.00 +0.009 C ENDBRANCH 25 27 BRANCH 21 30 ATOM 30 N LIG 1 -3.818 -0.130 0.718 0.00 0.00 -0.339 N ATOM 31 H LIG 1 -3.788 -1.001 1.273 0.00 0.00 +0.146 HD BRANCH 30 34 ATOM 32 C LIG 1 -4.670 1.965 2.573 0.00 0.00 +0.121 C ATOM 33 C LIG 1 -4.774 2.138 1.040 0.00 0.00 +0.054 C ATOM 34 C LIG 1 -5.026 0.620 0.923 0.00 0.00 +0.075 C ATOM 35 C LIG 1 -5.449 0.640 2.408 0.00 0.00 +0.054 C BRANCH 32 37 ATOM 36 C LIG 1 -4.624 4.198 3.513 0.00 0.00 +0.194 C ATOM 37 O LIG 1 -5.324 2.970 3.378 0.00 0.00 -0.380 OA ENDBRANCH 32 37 ENDBRANCH 30 34 ENDBRANCH 21 30 ENDBRANCH 1 22 BRANCH 2 38 ATOM 38 C LIG 1 -0.284 -3.376 2.002 0.00 0.00 +0.111 C BRANCH 38 39 ATOM 39 C LIG 1 -0.642 -4.862 1.800 0.00 0.00 +0.000 C ATOM 40 C LIG 1 0.307 -5.558 0.825 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -0.617 -5.583 3.150 0.00 0.00 +0.009 C ENDBRANCH 38 39 ENDBRANCH 2 38 TORSDOF 9