REMARK Name = BDB002370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.030 -0.796 -0.199 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.204 -0.404 0.262 0.00 0.00 -0.300 N ATOM 3 H LIG 1 0.321 -0.152 1.240 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -1.195 -1.270 -1.322 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 -2.185 -0.609 0.811 0.00 0.00 +0.161 C BRANCH 5 7 ATOM 6 C LIG 1 -3.688 0.974 -0.355 0.00 0.00 +0.230 C ATOM 7 N LIG 1 -3.390 -0.312 0.049 0.00 0.00 -0.302 N ATOM 8 H LIG 1 -3.775 -1.034 -0.555 0.00 0.00 +0.150 HD ATOM 9 O LIG 1 -3.093 1.962 0.068 0.00 0.00 -0.274 OA BRANCH 6 10 ATOM 10 C LIG 1 -4.776 1.040 -1.454 0.00 0.00 +0.137 C ATOM 11 C LIG 1 -5.379 2.437 -1.575 0.00 0.00 +0.034 C BRANCH 10 13 ATOM 12 C LIG 1 -6.649 0.125 -0.139 0.00 0.00 +0.101 C ATOM 13 N LIG 1 -5.781 -0.044 -1.301 0.00 0.00 -0.309 NA ATOM 14 H LIG 1 -6.366 -0.056 -2.138 0.00 0.00 +0.122 HD ENDBRANCH 10 13 ENDBRANCH 6 10 ENDBRANCH 5 7 BRANCH 5 15 ATOM 15 C LIG 1 -2.395 -1.829 1.735 0.00 0.00 +0.012 C ATOM 16 C LIG 1 -1.265 -1.978 2.757 0.00 0.00 +0.009 C ATOM 17 C LIG 1 -2.585 -3.149 0.980 0.00 0.00 +0.009 C ENDBRANCH 5 15 ENDBRANCH 1 5 BRANCH 2 18 ATOM 18 C LIG 1 1.432 -0.599 -0.509 0.00 0.00 +0.189 C BRANCH 18 19 ATOM 19 C LIG 1 2.540 -0.920 0.512 0.00 0.00 +0.252 C ATOM 20 N LIG 1 3.765 -1.230 -0.057 0.00 0.00 -0.235 N ATOM 21 H LIG 1 3.937 -0.933 -1.020 0.00 0.00 +0.173 HD ATOM 22 O LIG 1 2.349 -0.912 1.732 0.00 0.00 -0.272 OA BRANCH 20 23 ATOM 23 N LIG 1 4.878 -1.276 0.818 0.00 0.00 -0.264 N ATOM 24 H LIG 1 4.538 -1.396 1.781 0.00 0.00 +0.170 HD BRANCH 23 25 ATOM 25 C LIG 1 5.693 -0.117 0.728 0.00 0.00 +0.044 A ATOM 26 C LIG 1 6.089 0.545 1.898 0.00 0.00 +0.024 A ATOM 27 C LIG 1 6.920 1.668 1.839 0.00 0.00 +0.002 A ATOM 28 C LIG 1 7.384 2.129 0.610 0.00 0.00 +0.000 A ATOM 29 C LIG 1 7.027 1.461 -0.559 0.00 0.00 +0.002 A ATOM 30 C LIG 1 6.195 0.340 -0.499 0.00 0.00 +0.024 A ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 18 19 BRANCH 18 31 ATOM 31 C LIG 1 1.836 0.641 -1.341 0.00 0.00 +0.141 C ATOM 32 C LIG 1 0.732 1.140 -2.268 0.00 0.00 +0.040 C BRANCH 31 33 ATOM 33 O LIG 1 2.977 0.315 -2.157 0.00 0.00 -0.390 OA ATOM 34 H LIG 1 3.168 1.100 -2.704 0.00 0.00 +0.210 HD ENDBRANCH 31 33 ENDBRANCH 18 31 ENDBRANCH 2 18 TORSDOF 11