REMARK Name = BDB024112 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.058 -2.438 0.278 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.500 -2.561 -1.175 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.550 -1.455 -2.041 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.960 -1.606 -3.367 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.338 -2.859 -3.843 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.316 -3.962 -2.992 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.905 -3.814 -1.666 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.149 -1.521 -0.327 0.00 0.00 -0.284 N ATOM 9 H LIG 1 1.052 -2.208 -1.068 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 0.078 -1.402 0.549 0.00 0.00 +0.239 C ATOM 11 O LIG 1 0.019 -0.622 1.501 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.785 0.658 -0.535 0.00 0.00 +0.017 A ATOM 13 C LIG 1 3.862 0.938 0.481 0.00 0.00 +0.013 A ATOM 14 C LIG 1 2.653 0.232 0.573 0.00 0.00 +0.024 A ATOM 15 C LIG 1 2.340 -0.767 -0.348 0.00 0.00 +0.033 A ATOM 16 C LIG 1 3.256 -1.052 -1.364 0.00 0.00 +0.024 A ATOM 17 C LIG 1 4.462 -0.347 -1.456 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 8.488 3.878 0.403 0.00 0.00 +0.065 C ATOM 19 C LIG 1 7.727 2.803 -0.268 0.00 0.00 +0.033 A ATOM 20 N LIG 1 6.497 2.375 0.162 0.00 0.00 -0.342 N ATOM 21 H LIG 1 5.992 2.735 0.958 0.00 0.00 +0.167 HD ATOM 22 C LIG 1 6.062 1.369 -0.673 0.00 0.00 +0.138 A ATOM 23 N LIG 1 6.971 1.151 -1.608 0.00 0.00 -0.236 NA ATOM 24 C LIG 1 7.997 2.026 -1.368 0.00 0.00 +0.134 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.183 -2.272 1.236 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -1.750 -2.093 2.147 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.058 -1.131 0.930 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.040 -0.891 2.086 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.954 0.279 1.806 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.575 1.577 2.172 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.411 2.662 1.896 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.632 2.460 1.247 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -7.013 1.167 0.873 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.177 0.083 1.150 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.489 3.573 0.962 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -8.183 4.475 0.731 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9