REMARK Name = BDB011827 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.202 1.756 -0.237 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.474 0.934 -0.226 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -2.567 1.502 -0.358 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.375 -0.451 -0.050 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.142 -1.229 0.018 0.00 0.00 +0.058 A ATOM 6 C LIG 1 1.117 -0.819 0.555 0.00 0.00 +0.058 A ATOM 7 C LIG 1 2.104 -1.818 0.758 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.965 -3.129 0.312 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.813 -3.489 -0.347 0.00 0.00 +0.002 A ATOM 10 N LIG 1 1.470 0.514 0.980 0.00 0.00 -0.263 N ATOM 11 C LIG 1 2.781 1.002 1.157 0.00 0.00 +0.251 C ATOM 12 O LIG 1 3.060 1.875 1.982 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -0.214 -2.555 -0.481 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.437 1.519 1.117 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.879 0.569 0.244 0.00 0.00 +0.039 A ATOM 16 C LIG 1 5.167 0.428 0.789 0.00 0.00 +0.040 A ATOM 17 C LIG 1 6.188 0.039 -0.084 0.00 0.00 +0.066 A ATOM 18 C LIG 1 5.980 -0.187 -1.440 0.00 0.00 +0.020 A ATOM 19 C LIG 1 7.251 -0.555 -1.935 0.00 0.00 +0.142 A ATOM 20 N LIG 1 8.191 -0.567 -0.986 0.00 0.00 -0.181 NA ATOM 21 C LIG 1 4.694 -0.010 -1.979 0.00 0.00 +0.012 A ATOM 22 N LIG 1 7.524 -0.191 0.119 0.00 0.00 -0.277 N ATOM 23 H LIG 1 8.040 -0.111 0.988 0.00 0.00 +0.189 HD ATOM 24 C LIG 1 3.651 0.379 -1.126 0.00 0.00 +0.014 A ENDBRANCH 11 15 BRANCH 1 26 ATOM 25 C LIG 1 -0.461 3.730 -1.712 0.00 0.00 +0.230 C ATOM 26 N LIG 1 -0.517 3.166 -0.455 0.00 0.00 -0.301 N ATOM 27 H LIG 1 -1.200 3.614 0.154 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 0.074 3.176 -2.669 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 -1.189 5.096 -1.810 0.00 0.00 +0.137 C ATOM 30 C LIG 1 -0.478 5.990 -2.824 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 -2.229 6.801 -0.397 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -1.269 5.708 -0.458 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 -0.343 6.052 -0.200 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 1 26 BRANCH 4 34 ATOM 34 C LIG 1 -2.687 -1.155 -0.096 0.00 0.00 +0.149 C BRANCH 34 35 ATOM 35 C LIG 1 -2.941 -2.262 0.934 0.00 0.00 -0.019 A ATOM 36 C LIG 1 -3.430 -3.552 0.514 0.00 0.00 -0.013 A ATOM 37 C LIG 1 -3.591 -4.573 1.487 0.00 0.00 -0.018 A ATOM 38 C LIG 1 -4.034 -5.856 1.121 0.00 0.00 +0.008 A ATOM 39 C LIG 1 -4.346 -6.160 -0.200 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -4.225 -5.180 -1.170 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -3.315 -4.313 2.830 0.00 0.00 +0.009 A ATOM 42 C LIG 1 -2.915 -3.048 3.241 0.00 0.00 +0.004 A ATOM 43 C LIG 1 -3.780 -3.901 -0.818 0.00 0.00 +0.009 A ATOM 44 C LIG 1 -2.754 -2.007 2.318 0.00 0.00 -0.045 A ATOM 45 C LIG 1 -2.352 -0.667 2.870 0.00 0.00 +0.044 C ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 6