REMARK Name = BDB020093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.522 0.464 -0.713 0.00 0.00 -0.026 A ATOM 2 C LIG 1 2.132 1.659 -0.294 0.00 0.00 +0.014 A ATOM 3 C LIG 1 1.449 2.589 0.503 0.00 0.00 -0.015 A ATOM 4 C LIG 1 0.116 2.325 0.847 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.518 1.154 0.414 0.00 0.00 +0.038 A ATOM 6 C LIG 1 0.191 0.217 -0.348 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 2.113 3.813 0.967 0.00 0.00 +0.012 A ATOM 8 C LIG 1 3.046 3.840 2.020 0.00 0.00 +0.151 A ATOM 9 N LIG 1 3.656 5.002 2.421 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 3.335 6.147 1.784 0.00 0.00 +0.111 A ATOM 11 C LIG 1 2.426 6.213 0.749 0.00 0.00 +0.020 A ATOM 12 C LIG 1 1.812 5.034 0.339 0.00 0.00 +0.012 A BRANCH 8 13 ATOM 13 C LIG 1 3.420 2.557 2.757 0.00 0.00 +0.435 C ATOM 14 F LIG 1 4.129 1.683 1.983 0.00 0.00 -0.164 F ATOM 15 F LIG 1 2.339 1.859 3.214 0.00 0.00 -0.164 F ATOM 16 F LIG 1 4.198 2.765 3.863 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 5 17 ATOM 17 C LIG 1 -1.934 0.929 0.816 0.00 0.00 +0.245 C ATOM 18 N LIG 1 -2.699 0.191 -0.056 0.00 0.00 -0.304 N ATOM 19 H LIG 1 -2.340 -0.050 -0.966 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 -2.360 1.415 1.856 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 -4.100 -0.088 0.188 0.00 0.00 +0.107 C BRANCH 21 22 ATOM 22 C LIG 1 -4.372 -1.547 -0.153 0.00 0.00 -0.027 A ATOM 23 C LIG 1 -4.486 -1.993 -1.484 0.00 0.00 +0.011 A ATOM 24 C LIG 1 -4.712 -3.346 -1.777 0.00 0.00 -0.015 A ATOM 25 C LIG 1 -4.815 -3.822 -3.194 0.00 0.00 +0.047 C ATOM 26 C LIG 1 -4.790 -4.256 -0.722 0.00 0.00 +0.126 A ATOM 27 F LIG 1 -4.979 -5.558 -0.976 0.00 0.00 -0.205 F ATOM 28 C LIG 1 -4.667 -3.841 0.599 0.00 0.00 +0.039 A ATOM 29 C LIG 1 -4.457 -2.492 0.883 0.00 0.00 +0.008 A ENDBRANCH 21 22 BRANCH 21 30 ATOM 30 C LIG 1 -5.024 0.830 -0.585 0.00 0.00 +0.014 C ATOM 31 C LIG 1 -4.839 2.332 -0.567 0.00 0.00 +0.006 C ATOM 32 C LIG 1 -4.628 1.571 -1.846 0.00 0.00 +0.006 C ENDBRANCH 21 30 ENDBRANCH 18 21 ENDBRANCH 5 17 BRANCH 1 33 ATOM 33 C LIG 1 2.312 -0.553 -1.510 0.00 0.00 +0.161 C BRANCH 33 39 ATOM 34 C LIG 1 4.283 -2.356 0.853 0.00 0.00 +0.125 A ATOM 35 O LIG 1 5.316 -1.554 0.307 0.00 0.00 -0.428 OA ATOM 36 C LIG 1 4.628 -0.831 -0.654 0.00 0.00 +0.296 A ATOM 37 N LIG 1 5.252 0.042 -1.360 0.00 0.00 -0.250 NA ATOM 38 H LIG 1 6.225 0.026 -1.033 0.00 0.00 +0.191 HD ATOM 39 N LIG 1 3.307 -1.200 -0.686 0.00 0.00 -0.295 N ATOM 40 C LIG 1 3.102 -2.143 0.277 0.00 0.00 +0.132 A BRANCH 34 42 ATOM 41 C LIG 1 5.550 -4.390 1.548 0.00 0.00 +0.012 C ATOM 42 C LIG 1 4.625 -3.264 1.983 0.00 0.00 +0.072 C ENDBRANCH 34 42 ENDBRANCH 33 39 ENDBRANCH 1 33 TORSDOF 9