REMARK Name = BDB006394 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.140 -1.466 1.263 0.00 0.00 +0.037 A ATOM 2 C LIG 1 2.196 -0.432 0.315 0.00 0.00 +0.023 A ATOM 3 C LIG 1 1.204 0.575 0.313 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.981 1.732 -0.495 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -0.164 2.355 -0.019 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -0.650 1.599 1.031 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -0.833 3.597 -0.505 0.00 0.00 +0.064 C ATOM 8 C LIG 1 1.821 2.195 -1.636 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.176 0.510 1.256 0.00 0.00 +0.050 A ATOM 10 C LIG 1 0.099 -0.532 2.196 0.00 0.00 +0.027 A ATOM 11 C LIG 1 1.091 -1.517 2.181 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 4.421 -2.210 0.838 0.00 0.00 -0.307 N ATOM 13 H LIG 1 4.656 -1.236 0.714 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 3.168 -2.543 1.305 0.00 0.00 +0.244 C ATOM 15 O LIG 1 2.896 -3.645 1.768 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 5.515 -3.144 0.956 0.00 0.00 +0.139 C BRANCH 16 21 ATOM 17 C LIG 1 10.170 -1.088 -1.873 0.00 0.00 +0.044 C ATOM 18 C LIG 1 8.960 -1.599 -1.148 0.00 0.00 -0.050 A ATOM 19 C LIG 1 7.963 -2.300 -1.835 0.00 0.00 +0.003 A ATOM 20 C LIG 1 6.853 -2.803 -1.153 0.00 0.00 +0.005 A ATOM 21 C LIG 1 6.729 -2.629 0.231 0.00 0.00 -0.030 A ATOM 22 C LIG 1 7.730 -1.931 0.919 0.00 0.00 +0.005 A ATOM 23 C LIG 1 8.840 -1.428 0.236 0.00 0.00 +0.003 A ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 24 ATOM 24 C LIG 1 -1.832 1.923 1.832 0.00 0.00 +0.157 C BRANCH 24 25 ATOM 25 C LIG 1 -3.130 1.613 1.124 0.00 0.00 -0.028 A ATOM 26 C LIG 1 -3.391 0.339 0.601 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -4.612 0.060 -0.021 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -5.607 1.041 -0.126 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -5.346 2.313 0.403 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -4.126 2.594 1.026 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 -6.881 0.751 -0.797 0.00 0.00 -0.004 A ATOM 32 C LIG 1 -8.104 0.583 -0.115 0.00 0.00 +0.067 A ATOM 33 C LIG 1 -9.290 0.348 -0.836 0.00 0.00 +0.015 A ATOM 34 C LIG 1 -9.272 0.274 -2.228 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -8.072 0.431 -2.912 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.891 0.668 -2.204 0.00 0.00 +0.009 A BRANCH 32 37 ATOM 37 C LIG 1 -8.173 0.606 1.370 0.00 0.00 +0.337 C ATOM 38 O LIG 1 -7.330 0.234 2.162 0.00 0.00 -0.245 OA BRANCH 37 39 ATOM 39 O LIG 1 -9.340 1.124 1.802 0.00 0.00 -0.477 OA ATOM 40 H LIG 1 -9.253 1.093 2.778 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 8