REMARK Name = BDB003768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.446 0.780 -0.613 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -0.672 1.721 -0.896 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.619 0.034 -0.555 0.00 0.00 +0.221 A ATOM 4 N LIG 1 -2.731 0.698 -0.894 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 -3.934 0.063 -0.856 0.00 0.00 +0.163 A ATOM 6 N LIG 1 -5.079 0.812 -1.230 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -6.165 0.919 -0.338 0.00 0.00 +0.056 A ATOM 8 C LIG 1 -6.836 -0.223 0.115 0.00 0.00 +0.063 A ATOM 9 C LIG 1 -6.548 -1.586 -0.389 0.00 0.00 +0.261 A ATOM 10 N LIG 1 -5.241 -2.059 -0.551 0.00 0.00 -0.307 N ATOM 11 C LIG 1 -5.103 -3.499 -0.768 0.00 0.00 +0.152 C ATOM 12 O LIG 1 -7.529 -2.320 -0.548 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 -7.915 -0.111 1.017 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -8.328 1.130 1.491 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -7.672 2.272 1.057 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -6.609 2.166 0.154 0.00 0.00 +0.026 A ATOM 17 C LIG 1 -4.747 2.000 -2.023 0.00 0.00 +0.151 C ATOM 18 C LIG 1 -4.040 -1.280 -0.500 0.00 0.00 +0.106 A ATOM 19 C LIG 1 -2.824 -1.867 -0.181 0.00 0.00 +0.144 A ATOM 20 N LIG 1 -1.629 -1.246 -0.192 0.00 0.00 -0.220 NA ENDBRANCH 1 3 BRANCH 1 24 ATOM 21 C LIG 1 3.668 0.065 0.171 0.00 0.00 +0.042 A ATOM 22 C LIG 1 2.740 -0.974 0.346 0.00 0.00 +0.077 A ATOM 23 C LIG 1 1.371 -0.739 0.086 0.00 0.00 +0.037 A ATOM 24 C LIG 1 0.897 0.504 -0.341 0.00 0.00 +0.034 A ATOM 25 C LIG 1 1.839 1.526 -0.510 0.00 0.00 +0.025 A ATOM 26 C LIG 1 3.197 1.312 -0.259 0.00 0.00 +0.025 A BRANCH 21 31 ATOM 27 C LIG 1 9.066 0.520 0.422 0.00 0.00 +0.105 C ATOM 28 N LIG 1 7.749 1.110 0.647 0.00 0.00 -0.302 NA ATOM 29 C LIG 1 6.936 1.128 -0.590 0.00 0.00 +0.103 C ATOM 30 C LIG 1 5.924 -0.030 -0.743 0.00 0.00 +0.120 C ATOM 31 N LIG 1 5.025 -0.158 0.429 0.00 0.00 -0.327 N ATOM 32 C LIG 1 5.511 0.512 1.659 0.00 0.00 +0.120 C ATOM 33 C LIG 1 7.049 0.402 1.746 0.00 0.00 +0.103 C ENDBRANCH 21 31 BRANCH 22 34 ATOM 34 C LIG 1 3.189 -2.341 0.800 0.00 0.00 +0.419 C ATOM 35 F LIG 1 4.068 -2.940 -0.055 0.00 0.00 -0.166 F ATOM 36 F LIG 1 3.787 -2.340 2.028 0.00 0.00 -0.166 F ATOM 37 F LIG 1 2.157 -3.233 0.918 0.00 0.00 -0.166 F ENDBRANCH 22 34 ENDBRANCH 1 24 TORSDOF 4