REMARK Name = BDB026698 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.917 -3.133 1.567 0.00 0.00 +0.039 A ATOM 2 C LIG 1 0.591 -3.152 1.114 0.00 0.00 +0.043 A ATOM 3 C LIG 1 0.018 -1.965 0.636 0.00 0.00 +0.091 A ATOM 4 N LIG 1 -1.225 -1.777 0.108 0.00 0.00 -0.226 NA ATOM 5 C LIG 1 -1.329 -0.478 -0.153 0.00 0.00 +0.167 A ATOM 6 N LIG 1 -0.110 0.168 0.082 0.00 0.00 -0.291 N ATOM 7 C LIG 1 0.748 -0.782 0.643 0.00 0.00 +0.074 A ATOM 8 C LIG 1 2.085 -0.750 1.077 0.00 0.00 +0.029 A ATOM 9 C LIG 1 2.650 -1.941 1.554 0.00 0.00 +0.015 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 0.264 1.498 -0.268 0.00 0.00 +0.049 A ATOM 11 C LIG 1 1.002 2.281 0.630 0.00 0.00 +0.031 A ATOM 12 C LIG 1 1.380 3.583 0.277 0.00 0.00 -0.024 A ATOM 13 C LIG 1 2.241 4.415 1.186 0.00 0.00 +0.046 C ATOM 14 C LIG 1 1.983 5.899 0.985 0.00 0.00 +0.101 C ATOM 15 C LIG 1 1.979 6.281 -0.477 0.00 0.00 +0.218 C ATOM 16 N LIG 1 1.425 5.376 -1.343 0.00 0.00 -0.285 N ATOM 17 H LIG 1 1.302 5.698 -2.294 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 2.360 7.381 -0.871 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 1.031 4.085 -0.981 0.00 0.00 +0.037 A ATOM 20 C LIG 1 0.315 3.304 -1.885 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -0.078 2.012 -1.527 0.00 0.00 +0.028 A ENDBRANCH 6 10 BRANCH 5 22 ATOM 22 C LIG 1 -2.595 0.157 -0.576 0.00 0.00 +0.128 A ATOM 23 C LIG 1 -3.593 -0.563 -1.266 0.00 0.00 +0.063 A ATOM 24 C LIG 1 -4.742 0.136 -1.637 0.00 0.00 +0.027 A ATOM 25 C LIG 1 -4.881 1.481 -1.298 0.00 0.00 +0.022 A ATOM 26 C LIG 1 -3.864 2.091 -0.589 0.00 0.00 +0.111 A ATOM 27 N LIG 1 -2.730 1.461 -0.220 0.00 0.00 -0.250 NA BRANCH 23 28 ATOM 28 N LIG 1 -3.410 -1.943 -1.532 0.00 0.00 -0.284 N ATOM 29 H LIG 1 -2.577 -2.349 -1.098 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -4.233 -2.794 -2.237 0.00 0.00 +0.214 C ATOM 31 O LIG 1 -5.252 -2.488 -2.847 0.00 0.00 -0.276 OA ATOM 32 C LIG 1 -3.727 -4.215 -2.238 0.00 0.00 +0.109 C ENDBRANCH 23 28 ENDBRANCH 5 22 BRANCH 1 36 ATOM 33 C LIG 1 4.505 -5.797 2.279 0.00 0.00 +0.128 C ATOM 34 N LIG 1 3.868 -4.551 1.935 0.00 0.00 -0.314 N ATOM 35 H LIG 1 4.363 -3.929 1.311 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 2.501 -4.409 2.067 0.00 0.00 +0.244 C ATOM 37 O LIG 1 1.771 -5.277 2.530 0.00 0.00 -0.270 OA ENDBRANCH 1 36 TORSDOF 4