REMARK Name = BDB015203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.222 -1.318 -3.620 0.00 0.00 -0.327 N ATOM 2 H LIG 1 -0.377 -1.296 -4.630 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -2.397 0.581 -1.284 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.381 -0.263 -1.754 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -1.237 -0.496 -3.119 0.00 0.00 +0.119 A ATOM 6 N LIG 1 -2.075 0.020 -4.031 0.00 0.00 -0.240 NA ATOM 7 C LIG 1 -3.072 0.808 -3.575 0.00 0.00 +0.113 A ATOM 8 C LIG 1 -3.267 1.115 -2.239 0.00 0.00 +0.030 A BRANCH 3 15 ATOM 9 C LIG 1 -6.436 1.484 2.049 0.00 0.00 +0.152 C ATOM 10 N LIG 1 -5.103 1.530 2.586 0.00 0.00 -0.318 N ATOM 11 C LIG 1 -3.954 1.328 1.876 0.00 0.00 +0.161 A ATOM 12 C LIG 1 -2.937 1.469 2.811 0.00 0.00 +0.108 A ATOM 13 C LIG 1 -1.624 1.316 2.364 0.00 0.00 +0.033 A ATOM 14 C LIG 1 -1.446 1.021 1.007 0.00 0.00 +0.030 A ATOM 15 C LIG 1 -2.554 0.891 0.153 0.00 0.00 +0.074 A ATOM 16 N LIG 1 -3.447 1.750 4.054 0.00 0.00 -0.234 NA ATOM 17 N LIG 1 -3.842 1.053 0.563 0.00 0.00 -0.227 NA ATOM 18 C LIG 1 -4.753 1.780 3.884 0.00 0.00 +0.201 A ENDBRANCH 3 15 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 1.138 -0.849 -3.284 0.00 0.00 +0.135 C BRANCH 19 20 ATOM 20 C LIG 1 2.036 -2.081 -3.049 0.00 0.00 +0.145 C BRANCH 20 21 ATOM 21 O LIG 1 1.324 -3.071 -2.289 0.00 0.00 -0.389 OA ATOM 22 H LIG 1 0.394 -2.972 -2.589 0.00 0.00 +0.210 HD ENDBRANCH 20 21 BRANCH 20 23 ATOM 23 C LIG 1 3.379 -1.730 -2.367 0.00 0.00 +0.117 C BRANCH 23 24 ATOM 24 N LIG 1 3.288 -0.872 -1.164 0.00 0.00 -0.295 NA ATOM 25 C LIG 1 2.595 -1.567 -0.055 0.00 0.00 +0.120 C ATOM 26 C LIG 1 2.618 -0.797 1.251 0.00 0.00 -0.030 A ATOM 27 C LIG 1 3.562 0.218 1.478 0.00 0.00 -0.042 A ATOM 28 C LIG 1 3.568 0.903 2.700 0.00 0.00 +0.004 A ATOM 29 C LIG 1 2.660 0.563 3.702 0.00 0.00 +0.000 A ATOM 30 C LIG 1 1.739 -0.460 3.491 0.00 0.00 +0.000 A ATOM 31 C LIG 1 4.524 0.605 0.385 0.00 0.00 +0.051 C ATOM 32 C LIG 1 1.718 -1.138 2.272 0.00 0.00 +0.005 A ATOM 33 C LIG 1 4.628 -0.463 -0.714 0.00 0.00 +0.089 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7