REMARK Name = BDB021537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.047 2.525 1.302 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -0.575 2.399 -0.086 0.00 0.00 -0.331 N ATOM 3 C LIG 1 -1.049 1.250 -0.743 0.00 0.00 +0.045 A ATOM 4 C LIG 1 -0.274 0.225 -1.323 0.00 0.00 +0.058 A ATOM 5 C LIG 1 -0.901 -0.891 -1.916 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.288 -0.996 -1.971 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -3.081 0.011 -1.442 0.00 0.00 +0.123 A ATOM 8 C LIG 1 1.212 0.152 -1.353 0.00 0.00 +0.249 C ATOM 9 O LIG 1 1.750 -0.931 -1.115 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 1.949 1.270 -1.725 0.00 0.00 -0.293 N ATOM 11 C LIG 1 1.372 2.607 -1.661 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -2.461 1.115 -0.850 0.00 0.00 +0.069 A ATOM 13 C LIG 1 0.807 2.879 -0.270 0.00 0.00 +0.123 C ENDROOT BRANCH 7 14 ATOM 14 O LIG 1 -4.423 -0.205 -1.563 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 -5.348 0.747 -1.020 0.00 0.00 +0.176 C ATOM 16 C LIG 1 -6.687 0.531 -1.731 0.00 0.00 +0.060 C ATOM 17 C LIG 1 -7.324 -0.806 -1.347 0.00 0.00 +0.088 C ATOM 18 N LIG 1 -7.511 -0.896 0.113 0.00 0.00 -0.295 NA ATOM 19 C LIG 1 -6.201 -0.807 0.785 0.00 0.00 +0.088 C ATOM 20 C LIG 1 -5.531 0.534 0.485 0.00 0.00 +0.060 C BRANCH 18 21 ATOM 21 C LIG 1 -8.136 -2.198 0.440 0.00 0.00 +0.108 C ATOM 22 C LIG 1 -9.635 -2.199 0.085 0.00 0.00 +0.181 C ATOM 23 O LIG 1 -9.979 -2.632 1.431 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 -8.664 -2.213 1.888 0.00 0.00 +0.181 C ENDBRANCH 18 21 ENDBRANCH 14 15 ENDBRANCH 7 14 BRANCH 10 25 ATOM 25 C LIG 1 3.411 1.153 -1.760 0.00 0.00 +0.140 C BRANCH 25 26 ATOM 26 C LIG 1 4.064 1.300 -0.376 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 4.033 2.681 0.034 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 4.756 2.747 0.693 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 5.539 0.842 -0.415 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 6.232 1.169 0.855 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 5.904 0.212 1.935 0.00 0.00 +0.120 C ATOM 32 C LIG 1 6.585 -1.137 1.831 0.00 0.00 -0.030 A ATOM 33 C LIG 1 7.766 -1.297 1.084 0.00 0.00 -0.042 A ATOM 34 C LIG 1 8.392 -2.550 1.031 0.00 0.00 +0.004 A ATOM 35 C LIG 1 7.864 -3.631 1.735 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.705 -3.472 2.490 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.322 -0.145 0.286 0.00 0.00 +0.051 C ATOM 38 C LIG 1 6.069 -2.231 2.542 0.00 0.00 +0.005 A ATOM 39 C LIG 1 7.698 1.201 0.685 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 8