REMARK Name = BDB020488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.434 -0.862 -2.670 0.00 0.00 +0.041 C ATOM 2 C LIG 1 -3.618 -1.488 -1.289 0.00 0.00 +0.171 C ATOM 3 N LIG 1 -2.524 -1.137 -0.395 0.00 0.00 -0.317 N ATOM 4 C LIG 1 -1.405 -1.944 -0.330 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.563 -1.324 0.559 0.00 0.00 +0.094 A ATOM 6 N LIG 1 -1.130 -0.168 1.009 0.00 0.00 -0.231 NA ATOM 7 C LIG 1 -1.304 -3.167 -1.151 0.00 0.00 +0.163 C ATOM 8 N LIG 1 -2.619 -3.779 -1.234 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -2.667 -5.198 -1.537 0.00 0.00 +0.132 C ATOM 10 C LIG 1 -2.333 -0.066 0.457 0.00 0.00 +0.117 A ATOM 11 C LIG 1 -3.754 -3.006 -1.451 0.00 0.00 +0.238 C ATOM 12 O LIG 1 -4.832 -3.495 -1.799 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 0.755 -1.774 0.966 0.00 0.00 +0.011 A ATOM 14 C LIG 1 1.914 -0.975 0.751 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.170 -1.464 1.153 0.00 0.00 +0.072 A ATOM 16 N LIG 1 4.309 -0.777 0.974 0.00 0.00 -0.246 NA ATOM 17 C LIG 1 4.271 0.457 0.406 0.00 0.00 +0.083 A ATOM 18 C LIG 1 3.094 1.033 -0.052 0.00 0.00 +0.044 A ATOM 19 C LIG 1 3.248 -2.709 1.761 0.00 0.00 +0.028 A ATOM 20 C LIG 1 2.115 -3.489 1.994 0.00 0.00 +0.003 A ATOM 21 C LIG 1 1.912 0.299 0.141 0.00 0.00 +0.022 A ATOM 22 C LIG 1 0.869 -3.020 1.599 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.580 1.075 0.322 0.00 0.00 +0.038 A ATOM 24 C LIG 1 5.904 2.368 0.675 0.00 0.00 +0.118 A ATOM 25 N LIG 1 7.248 2.494 0.473 0.00 0.00 -0.274 N ATOM 26 C LIG 1 8.050 3.675 0.681 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.838 1.359 0.055 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.824 0.491 -0.011 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 3.024 2.369 -0.725 0.00 0.00 +0.374 C ATOM 30 F LIG 1 3.101 3.412 0.147 0.00 0.00 -0.204 F ATOM 31 F LIG 1 3.994 2.574 -1.657 0.00 0.00 -0.204 F ENDBRANCH 18 29 ENDBRANCH 5 13 BRANCH 10 32 ATOM 32 C LIG 1 -3.245 1.117 0.815 0.00 0.00 +0.030 C ATOM 33 C LIG 1 -4.621 1.161 0.128 0.00 0.00 +0.042 C ATOM 34 C LIG 1 -5.347 2.489 0.330 0.00 0.00 +0.161 C ATOM 35 O LIG 1 -4.537 3.570 -0.120 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 -3.324 3.674 0.618 0.00 0.00 +0.161 C ATOM 37 C LIG 1 -2.480 2.418 0.445 0.00 0.00 +0.042 C ATOM 38 C LIG 1 -3.458 1.054 2.352 0.00 0.00 +0.019 C ENDBRANCH 10 32 TORSDOF 4