REMARK Name = BDB020474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.092 -1.739 -0.651 0.00 0.00 +0.011 A ATOM 2 C LIG 1 1.345 -1.063 -0.624 0.00 0.00 +0.010 A ATOM 3 C LIG 1 2.439 -1.617 -1.316 0.00 0.00 +0.072 A ATOM 4 N LIG 1 3.651 -1.040 -1.347 0.00 0.00 -0.246 NA ATOM 5 C LIG 1 3.855 0.117 -0.669 0.00 0.00 +0.083 A ATOM 6 C LIG 1 2.845 0.774 0.021 0.00 0.00 +0.044 A ATOM 7 C LIG 1 2.268 -2.810 -2.004 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.047 -3.482 -2.027 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.587 0.158 0.045 0.00 0.00 +0.022 A ATOM 10 C LIG 1 -0.041 -2.947 -1.349 0.00 0.00 +0.011 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.388 -1.182 0.320 0.00 0.00 +0.041 C ATOM 12 C LIG 1 -4.422 0.001 0.275 0.00 0.00 +0.171 C ATOM 13 N LIG 1 -3.052 -0.426 0.501 0.00 0.00 -0.317 N ATOM 14 C LIG 1 -2.259 -0.837 -0.544 0.00 0.00 +0.064 A ATOM 15 C LIG 1 -1.071 -1.212 0.038 0.00 0.00 +0.094 A ATOM 16 N LIG 1 -1.112 -0.984 1.387 0.00 0.00 -0.232 NA ATOM 17 C LIG 1 -2.757 -0.791 -1.931 0.00 0.00 +0.163 C ATOM 18 N LIG 1 -3.645 0.355 -2.073 0.00 0.00 -0.297 N ATOM 19 C LIG 1 -3.834 0.877 -3.415 0.00 0.00 +0.132 C ATOM 20 C LIG 1 -2.304 -0.478 1.650 0.00 0.00 +0.117 A ATOM 21 C LIG 1 -4.559 0.700 -1.080 0.00 0.00 +0.238 C ATOM 22 O LIG 1 -5.478 1.500 -1.271 0.00 0.00 -0.273 OA BRANCH 20 23 ATOM 23 C LIG 1 -2.633 -0.005 3.104 0.00 0.00 +0.083 C ATOM 24 C LIG 1 -4.032 -0.247 3.690 0.00 0.00 +0.093 C ATOM 25 N LIG 1 -3.971 1.107 4.287 0.00 0.00 -0.315 NA ATOM 26 H LIG 1 -4.838 1.641 4.257 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -2.958 1.490 3.277 0.00 0.00 +0.093 C ENDBRANCH 20 23 ENDBRANCH 1 15 BRANCH 5 28 ATOM 28 C LIG 1 5.215 0.607 -0.769 0.00 0.00 +0.038 A ATOM 29 C LIG 1 6.017 1.008 0.279 0.00 0.00 +0.118 A ATOM 30 N LIG 1 7.224 1.335 -0.269 0.00 0.00 -0.274 N ATOM 31 C LIG 1 8.397 1.802 0.429 0.00 0.00 +0.172 C ATOM 32 N LIG 1 7.269 1.172 -1.603 0.00 0.00 -0.179 NA ATOM 33 C LIG 1 6.059 0.686 -1.899 0.00 0.00 +0.144 A ENDBRANCH 5 28 BRANCH 6 34 ATOM 34 C LIG 1 3.052 2.086 0.714 0.00 0.00 +0.374 C ATOM 35 F LIG 1 1.884 2.757 0.943 0.00 0.00 -0.204 F ATOM 36 F LIG 1 3.632 1.950 1.939 0.00 0.00 -0.204 F ENDBRANCH 6 34 TORSDOF 4