REMARK Name = BDB003292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.402 -0.395 1.030 0.00 0.00 -0.006 A ATOM 2 C LIG 1 2.568 0.449 0.281 0.00 0.00 +0.027 A ATOM 3 C LIG 1 1.353 -0.064 -0.218 0.00 0.00 +0.033 A ATOM 4 C LIG 1 0.950 -1.396 -0.015 0.00 0.00 +0.039 A ATOM 5 N LIG 1 -0.263 -1.902 -0.564 0.00 0.00 -0.284 N ATOM 6 C LIG 1 -0.798 -3.070 0.154 0.00 0.00 +0.113 C ATOM 7 C LIG 1 0.271 -4.152 0.216 0.00 0.00 +0.024 C ATOM 8 C LIG 1 1.443 -3.657 1.046 0.00 0.00 +0.038 C ATOM 9 C LIG 1 1.813 -2.231 0.723 0.00 0.00 -0.025 A ATOM 10 C LIG 1 3.020 -1.726 1.240 0.00 0.00 +0.014 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -1.315 -1.100 -1.086 0.00 0.00 +0.134 A ATOM 12 C LIG 1 -1.223 -0.585 -2.410 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -2.278 0.234 -2.874 0.00 0.00 -0.012 A ATOM 14 C LIG 1 -2.234 0.770 -4.173 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -1.161 0.500 -5.022 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -0.122 -0.313 -4.587 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -3.362 0.494 -2.036 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -3.370 -0.075 -0.772 0.00 0.00 +0.128 A ATOM 19 C LIG 1 -0.155 -0.852 -3.300 0.00 0.00 +0.012 A ATOM 20 N LIG 1 -2.383 -0.861 -0.290 0.00 0.00 -0.226 NA BRANCH 18 21 ATOM 21 C LIG 1 -4.519 0.172 0.148 0.00 0.00 +0.263 C ATOM 22 N LIG 1 -4.883 1.505 0.284 0.00 0.00 -0.307 N ATOM 23 H LIG 1 -4.256 2.217 -0.071 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 -5.076 -0.755 0.727 0.00 0.00 -0.269 OA BRANCH 22 25 ATOM 25 C LIG 1 -5.927 1.912 1.170 0.00 0.00 +0.073 C ATOM 26 C LIG 1 -6.465 3.316 1.125 0.00 0.00 +0.024 C ATOM 27 C LIG 1 -7.311 2.174 0.644 0.00 0.00 +0.024 C ENDBRANCH 22 25 ENDBRANCH 18 21 ENDBRANCH 5 11 BRANCH 1 32 ATOM 28 C LIG 1 6.755 2.042 3.743 0.00 0.00 +0.172 C ATOM 29 N LIG 1 6.119 1.137 2.817 0.00 0.00 -0.274 N ATOM 30 N LIG 1 6.868 0.249 2.136 0.00 0.00 -0.179 NA ATOM 31 C LIG 1 5.974 -0.423 1.407 0.00 0.00 +0.142 A ATOM 32 C LIG 1 4.658 0.052 1.595 0.00 0.00 +0.020 A ATOM 33 C LIG 1 4.787 1.056 2.531 0.00 0.00 +0.116 A ENDBRANCH 1 32 BRANCH 2 34 ATOM 34 C LIG 1 2.921 1.888 0.003 0.00 0.00 +0.372 C ATOM 35 F LIG 1 2.220 2.420 -1.043 0.00 0.00 -0.204 F ATOM 36 F LIG 1 2.658 2.707 1.061 0.00 0.00 -0.204 F ENDBRANCH 2 34 TORSDOF 5