REMARK Name = BDB019415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.330 -0.876 -0.202 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -1.847 -0.525 -1.427 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -0.963 -0.372 -2.596 0.00 0.00 +0.164 C ATOM 4 C LIG 1 -1.904 -0.208 -3.797 0.00 0.00 +0.065 C ATOM 5 C LIG 1 -3.209 -0.825 -3.319 0.00 0.00 +0.134 C ATOM 6 C LIG 1 -3.247 -0.458 -1.836 0.00 0.00 +0.140 C ATOM 7 O LIG 1 -0.133 -1.187 -0.116 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -0.073 0.874 -2.401 0.00 0.00 +0.234 C ATOM 9 N LIG 1 1.131 0.592 -1.788 0.00 0.00 -0.310 N ATOM 10 H LIG 1 1.136 -0.266 -1.235 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -0.434 2.018 -2.667 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 1.979 1.660 -1.319 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 3.296 1.121 -0.829 0.00 0.00 -0.030 A ATOM 14 C LIG 1 4.454 1.246 -1.608 0.00 0.00 +0.006 A ATOM 15 C LIG 1 5.669 0.721 -1.161 0.00 0.00 +0.010 A ATOM 16 C LIG 1 5.743 0.057 0.068 0.00 0.00 +0.000 A ATOM 17 C LIG 1 4.588 -0.084 0.842 0.00 0.00 +0.010 A ATOM 18 C LIG 1 3.374 0.446 0.399 0.00 0.00 +0.006 A BRANCH 16 19 ATOM 19 C LIG 1 7.007 -0.497 0.531 0.00 0.00 +0.069 A ATOM 20 N LIG 1 8.049 0.243 1.041 0.00 0.00 -0.267 N ATOM 21 C LIG 1 8.090 1.674 1.240 0.00 0.00 +0.173 C ATOM 22 N LIG 1 9.115 -0.503 1.398 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 8.738 -1.752 1.115 0.00 0.00 +0.135 A ATOM 24 C LIG 1 7.438 -1.809 0.581 0.00 0.00 +0.049 A ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 5 25 ATOM 25 O LIG 1 -3.158 -2.240 -3.499 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 -2.622 -2.622 -2.781 0.00 0.00 +0.210 HD ENDBRANCH 5 25 BRANCH 1 27 ATOM 27 C LIG 1 -2.214 -0.931 1.076 0.00 0.00 +0.165 C BRANCH 27 28 ATOM 28 N LIG 1 -3.312 0.050 1.127 0.00 0.00 -0.281 N ATOM 29 C LIG 1 -4.676 -0.186 1.101 0.00 0.00 +0.248 C ATOM 30 O LIG 1 -5.276 -1.240 1.028 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 -5.339 1.122 1.153 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -4.357 2.107 1.199 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -4.712 3.444 1.232 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -6.074 3.765 1.214 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.056 2.758 1.165 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.690 1.411 1.131 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -3.007 1.478 1.200 0.00 0.00 +0.144 C ENDBRANCH 27 28 BRANCH 27 39 ATOM 38 C LIG 1 -2.984 -3.326 0.412 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -2.551 -2.379 1.535 0.00 0.00 +0.012 C ATOM 40 C LIG 1 -1.355 -3.010 2.268 0.00 0.00 +0.009 C ENDBRANCH 27 39 ENDBRANCH 1 27 TORSDOF 8