REMARK Name = BDB056031 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.086 -0.856 -0.323 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -1.589 -1.891 -1.066 0.00 0.00 -0.263 N ATOM 3 H LIG 1 -2.132 -2.579 -1.582 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 -0.247 -1.952 -1.077 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 0.146 -0.926 -0.303 0.00 0.00 +0.094 A ATOM 6 C LIG 1 -0.986 -0.212 0.189 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 1.566 -0.651 -0.058 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.978 0.142 1.020 0.00 0.00 +0.012 A ATOM 9 C LIG 1 3.338 0.398 1.240 0.00 0.00 +0.024 A ATOM 10 C LIG 1 4.315 -0.126 0.386 0.00 0.00 +0.035 A ATOM 11 C LIG 1 3.911 -0.925 -0.683 0.00 0.00 +0.024 A ATOM 12 C LIG 1 2.550 -1.185 -0.901 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 N LIG 1 5.662 0.166 0.685 0.00 0.00 -0.269 N ATOM 14 H LIG 1 5.816 0.766 1.480 0.00 0.00 +0.156 HD ATOM 15 C LIG 1 6.774 -0.074 -0.117 0.00 0.00 +0.309 C ATOM 16 N LIG 1 7.932 0.197 0.593 0.00 0.00 -0.251 N ATOM 17 H LIG 1 7.871 0.239 1.595 0.00 0.00 +0.158 HD ATOM 18 O LIG 1 6.728 -0.468 -1.273 0.00 0.00 -0.252 OA BRANCH 16 19 ATOM 19 C LIG 1 9.207 0.171 0.058 0.00 0.00 +0.169 A ATOM 20 N LIG 1 9.518 0.075 -1.236 0.00 0.00 -0.063 NA ATOM 21 O LIG 1 10.894 0.102 -1.311 0.00 0.00 -0.357 OA ATOM 22 C LIG 1 11.420 0.223 -0.060 0.00 0.00 +0.144 A ATOM 23 C LIG 1 10.383 0.277 0.841 0.00 0.00 +0.092 A BRANCH 22 24 ATOM 24 C LIG 1 12.920 0.269 0.032 0.00 0.00 +0.023 C ATOM 25 C LIG 1 13.516 -1.027 -0.547 0.00 0.00 +0.019 C ATOM 26 C LIG 1 13.377 0.405 1.497 0.00 0.00 +0.019 C ATOM 27 C LIG 1 13.454 1.476 -0.760 0.00 0.00 +0.019 C ENDBRANCH 22 24 ENDBRANCH 16 19 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 29 ATOM 28 C LIG 1 -4.405 -1.375 -0.746 0.00 0.00 +0.249 C ATOM 29 N LIG 1 -3.429 -0.577 -0.170 0.00 0.00 -0.267 N ATOM 30 H LIG 1 -3.686 0.198 0.428 0.00 0.00 +0.157 HD ATOM 31 O LIG 1 -4.181 -2.396 -1.391 0.00 0.00 -0.270 OA BRANCH 28 35 ATOM 32 C LIG 1 -8.530 -0.210 -0.081 0.00 0.00 +0.030 A ATOM 33 C LIG 1 -7.509 0.750 -0.182 0.00 0.00 +0.024 A ATOM 34 C LIG 1 -6.169 0.399 -0.399 0.00 0.00 +0.015 A ATOM 35 C LIG 1 -5.811 -0.945 -0.514 0.00 0.00 +0.037 A ATOM 36 C LIG 1 -6.804 -1.920 -0.437 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -8.139 -1.552 -0.219 0.00 0.00 +0.024 A BRANCH 32 42 ATOM 38 C LIG 1 -13.555 1.956 0.182 0.00 0.00 +0.105 C ATOM 39 N LIG 1 -12.712 0.871 0.675 0.00 0.00 -0.302 NA ATOM 40 C LIG 1 -11.568 1.374 1.462 0.00 0.00 +0.103 C ATOM 41 C LIG 1 -10.216 1.452 0.712 0.00 0.00 +0.120 C ATOM 42 N LIG 1 -9.849 0.149 0.132 0.00 0.00 -0.327 N ATOM 43 C LIG 1 -10.963 -0.773 -0.153 0.00 0.00 +0.120 C ATOM 44 C LIG 1 -12.262 0.014 -0.442 0.00 0.00 +0.103 C ENDBRANCH 32 42 ENDBRANCH 28 35 ENDBRANCH 1 29 TORSDOF 7