REMARK Name = BDB020541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.340 0.794 1.877 0.00 0.00 +0.011 A ATOM 2 C LIG 1 1.618 0.766 1.250 0.00 0.00 +0.010 A ATOM 3 C LIG 1 2.763 1.047 2.018 0.00 0.00 +0.072 A ATOM 4 N LIG 1 4.005 1.023 1.510 0.00 0.00 -0.245 NA ATOM 5 C LIG 1 4.190 0.730 0.192 0.00 0.00 +0.100 A ATOM 6 C LIG 1 3.132 0.461 -0.668 0.00 0.00 +0.046 A ATOM 7 C LIG 1 2.614 1.367 3.361 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.362 1.425 3.973 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.840 0.489 -0.117 0.00 0.00 +0.022 A ATOM 10 C LIG 1 0.225 1.141 3.229 0.00 0.00 +0.011 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.206 -2.318 0.265 0.00 0.00 +0.041 C ATOM 12 C LIG 1 -3.148 -1.648 -0.604 0.00 0.00 +0.171 C ATOM 13 N LIG 1 -2.475 -0.562 0.093 0.00 0.00 -0.318 N ATOM 14 C LIG 1 -1.251 -0.760 0.691 0.00 0.00 +0.064 A ATOM 15 C LIG 1 -0.881 0.474 1.167 0.00 0.00 +0.094 A ATOM 16 N LIG 1 -1.877 1.383 0.947 0.00 0.00 -0.232 NA ATOM 17 C LIG 1 -0.632 -2.096 0.724 0.00 0.00 +0.163 C ATOM 18 N LIG 1 -0.902 -2.759 -0.539 0.00 0.00 -0.297 N ATOM 19 C LIG 1 0.001 -3.829 -0.924 0.00 0.00 +0.132 C ATOM 20 C LIG 1 -2.841 0.752 0.296 0.00 0.00 +0.115 A ATOM 21 C LIG 1 -2.167 -2.713 -1.112 0.00 0.00 +0.238 C ATOM 22 O LIG 1 -2.524 -3.506 -1.987 0.00 0.00 -0.273 OA BRANCH 20 23 ATOM 23 C LIG 1 -4.130 1.449 -0.058 0.00 0.00 +0.060 C ATOM 24 C LIG 1 -5.154 1.353 1.084 0.00 0.00 +0.039 C ATOM 25 C LIG 1 -6.582 1.526 0.576 0.00 0.00 +0.160 C ATOM 26 O LIG 1 -6.618 2.477 -0.481 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -5.947 2.039 -1.666 0.00 0.00 +0.160 C ATOM 28 C LIG 1 -4.776 1.094 -1.390 0.00 0.00 +0.039 C ENDBRANCH 20 23 ENDBRANCH 1 15 BRANCH 5 29 ATOM 29 C LIG 1 5.603 0.724 -0.220 0.00 0.00 +0.111 A ATOM 30 N LIG 1 6.061 0.047 -1.290 0.00 0.00 -0.170 NA ATOM 31 N LIG 1 7.381 0.304 -1.316 0.00 0.00 -0.274 N ATOM 32 C LIG 1 8.192 -0.259 -2.368 0.00 0.00 +0.172 C ATOM 33 C LIG 1 7.806 1.089 -0.290 0.00 0.00 +0.108 A ATOM 34 C LIG 1 6.681 1.376 0.444 0.00 0.00 +0.051 A ENDBRANCH 5 29 BRANCH 6 35 ATOM 35 C LIG 1 3.315 0.195 -2.133 0.00 0.00 +0.374 C ATOM 36 F LIG 1 2.140 -0.144 -2.752 0.00 0.00 -0.204 F ATOM 37 F LIG 1 3.761 1.287 -2.816 0.00 0.00 -0.204 F ENDBRANCH 6 35 TORSDOF 4