REMARK Name = BDB021607 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.578 0.259 -4.957 0.00 0.00 +0.057 C ATOM 2 C LIG 1 0.390 0.848 -3.909 0.00 0.00 +0.121 C ATOM 3 O LIG 1 1.249 -0.252 -3.535 0.00 0.00 -0.484 OA ATOM 4 C LIG 1 1.850 -0.170 -2.317 0.00 0.00 +0.134 A ATOM 5 C LIG 1 1.147 -0.215 -1.113 0.00 0.00 +0.079 A ATOM 6 C LIG 1 1.843 -0.183 0.094 0.00 0.00 +0.017 A ATOM 7 C LIG 1 3.236 -0.132 0.095 0.00 0.00 +0.014 A ATOM 8 C LIG 1 3.934 -0.156 -1.112 0.00 0.00 +0.040 A ATOM 9 C LIG 1 -0.331 -0.313 -1.048 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -0.831 -1.061 -0.207 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -1.078 0.477 -1.921 0.00 0.00 -0.291 N ATOM 12 C LIG 1 3.245 -0.162 -2.317 0.00 0.00 +0.059 A ATOM 13 C LIG 1 -0.429 1.478 -2.757 0.00 0.00 +0.155 C ATOM 14 C LIG 1 1.249 1.934 -4.585 0.00 0.00 +0.057 C ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 5.413 -0.140 -1.142 0.00 0.00 +0.247 C ATOM 16 N LIG 1 6.088 -1.108 -0.439 0.00 0.00 -0.290 N ATOM 17 C LIG 1 5.589 -2.351 0.186 0.00 0.00 +0.105 C ATOM 18 C LIG 1 5.891 -2.269 1.695 0.00 0.00 +0.182 C ATOM 19 O LIG 1 7.346 -2.348 1.769 0.00 0.00 -0.373 OA ATOM 20 C LIG 1 7.768 -2.494 0.382 0.00 0.00 +0.137 C ATOM 21 C LIG 1 6.661 -3.361 -0.210 0.00 0.00 +0.058 C ATOM 22 C LIG 1 7.547 -1.144 -0.350 0.00 0.00 +0.140 C ATOM 23 O LIG 1 5.974 0.715 -1.819 0.00 0.00 -0.270 OA ENDBRANCH 8 15 BRANCH 11 24 ATOM 24 C LIG 1 -2.511 0.612 -1.655 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 -2.857 1.792 -0.723 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 -1.895 1.959 0.328 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -2.277 1.483 1.097 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -4.281 1.699 -0.114 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -4.316 1.106 1.244 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -5.566 1.498 1.930 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -5.604 1.001 3.354 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -4.967 -0.211 3.688 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -4.994 -0.670 5.011 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -5.656 0.067 5.994 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.316 1.251 5.659 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.236 -1.006 2.633 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -6.301 1.713 4.343 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -4.245 -0.368 1.230 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 11 24 TORSDOF 6