REMARK Name = BDB000460 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.187 1.967 0.308 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -2.601 2.142 0.195 0.00 0.00 -0.490 OA BRANCH 2 4 ATOM 3 C LIG 1 -4.790 1.274 0.165 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -3.401 1.025 0.109 0.00 0.00 +0.142 A ATOM 5 C LIG 1 -2.940 -0.284 -0.040 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -3.845 -1.347 -0.126 0.00 0.00 +0.031 A ATOM 7 C LIG 1 -5.223 -1.108 -0.066 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -5.692 0.209 0.079 0.00 0.00 +0.054 A BRANCH 3 11 ATOM 9 C LIG 1 -6.449 4.648 0.552 0.00 0.00 +0.109 C ATOM 10 C LIG 1 -6.454 3.147 0.401 0.00 0.00 +0.214 C ATOM 11 N LIG 1 -5.181 2.625 0.308 0.00 0.00 -0.283 N ATOM 12 H LIG 1 -4.397 3.268 0.354 0.00 0.00 +0.155 HD ATOM 13 O LIG 1 -7.508 2.522 0.398 0.00 0.00 -0.276 OA ENDBRANCH 3 11 BRANCH 7 14 ATOM 14 N LIG 1 -6.151 -2.180 -0.153 0.00 0.00 -0.220 N ATOM 15 N LIG 1 -7.491 -1.983 -0.104 0.00 0.00 -0.061 NA ATOM 16 N LIG 1 -8.099 -3.156 -0.209 0.00 0.00 -0.138 NA ATOM 17 C LIG 1 -7.143 -4.114 -0.326 0.00 0.00 +0.156 A ATOM 18 C LIG 1 -5.901 -3.529 -0.294 0.00 0.00 +0.136 A ENDBRANCH 7 14 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -0.541 1.939 -1.076 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 0.969 1.756 -0.995 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 1.235 0.489 -0.395 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 2.548 0.155 -0.199 0.00 0.00 +0.121 A ATOM 23 C LIG 1 2.743 -1.060 0.465 0.00 0.00 +0.049 A ATOM 24 C LIG 1 4.037 -1.493 0.708 0.00 0.00 -0.040 A ATOM 25 C LIG 1 4.461 -2.727 1.439 0.00 0.00 +0.036 C ATOM 26 C LIG 1 5.918 -2.847 0.980 0.00 0.00 +0.013 C ATOM 27 C LIG 1 6.427 -1.405 0.738 0.00 0.00 +0.030 C ATOM 28 C LIG 1 5.144 -0.736 0.308 0.00 0.00 -0.040 A ATOM 29 C LIG 1 4.962 0.477 -0.336 0.00 0.00 +0.008 A ATOM 30 C LIG 1 3.657 0.917 -0.597 0.00 0.00 +0.046 A BRANCH 27 31 ATOM 31 C LIG 1 7.564 -1.393 -0.283 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 8.359 -0.116 -0.253 0.00 0.00 +0.305 C ATOM 33 O LIG 1 8.283 0.794 0.552 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 9.254 -0.062 -1.260 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 9.716 0.792 -1.126 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11