REMARK Name = BDB013246 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.319 3.081 -0.478 0.00 0.00 +0.249 C ATOM 2 N LIG 1 -0.353 2.123 -0.243 0.00 0.00 -0.266 N ATOM 3 H LIG 1 -0.576 1.367 0.385 0.00 0.00 +0.157 HD ATOM 4 O LIG 1 -1.194 4.147 -1.066 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.961 2.160 -0.734 0.00 0.00 +0.126 A ATOM 6 N LIG 1 1.351 3.124 -1.581 0.00 0.00 -0.239 NA ATOM 7 C LIG 1 2.627 3.100 -2.026 0.00 0.00 +0.121 A ATOM 8 C LIG 1 3.568 2.136 -1.670 0.00 0.00 +0.000 A ATOM 9 C LIG 1 3.148 1.128 -0.787 0.00 0.00 -0.013 A ATOM 10 C LIG 1 4.065 0.132 -0.399 0.00 0.00 +0.017 A ATOM 11 C LIG 1 5.383 0.128 -0.881 0.00 0.00 -0.014 A ATOM 12 C LIG 1 5.784 1.141 -1.760 0.00 0.00 +0.009 A ATOM 13 C LIG 1 4.887 2.138 -2.153 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.825 1.148 -0.320 0.00 0.00 +0.052 A BRANCH 11 15 ATOM 15 C LIG 1 6.308 -0.912 -0.462 0.00 0.00 +0.020 A ATOM 16 C LIG 1 7.344 -1.413 -1.223 0.00 0.00 +0.116 A ATOM 17 N LIG 1 7.947 -2.377 -0.467 0.00 0.00 -0.274 N ATOM 18 C LIG 1 9.081 -3.189 -0.836 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.374 -2.548 0.738 0.00 0.00 -0.179 NA ATOM 20 C LIG 1 6.380 -1.656 0.740 0.00 0.00 +0.142 A ENDBRANCH 11 15 ENDBRANCH 2 5 BRANCH 1 25 ATOM 21 C LIG 1 -4.412 1.233 0.691 0.00 0.00 +0.122 A ATOM 22 N LIG 1 -5.133 2.255 1.204 0.00 0.00 -0.240 NA ATOM 23 C LIG 1 -4.630 3.509 1.161 0.00 0.00 +0.113 A ATOM 24 C LIG 1 -3.400 3.820 0.630 0.00 0.00 +0.033 A ATOM 25 C LIG 1 -2.648 2.773 0.114 0.00 0.00 +0.042 A ATOM 26 C LIG 1 -3.164 1.474 0.124 0.00 0.00 +0.056 A BRANCH 21 31 ATOM 27 C LIG 1 -6.153 -3.885 0.855 0.00 0.00 +0.105 C ATOM 28 N LIG 1 -6.117 -2.643 1.622 0.00 0.00 -0.302 NA ATOM 29 C LIG 1 -4.736 -2.215 1.918 0.00 0.00 +0.103 C ATOM 30 C LIG 1 -4.106 -1.216 0.918 0.00 0.00 +0.122 C ATOM 31 N LIG 1 -4.963 -0.041 0.698 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -6.349 -0.150 1.185 0.00 0.00 +0.122 C ATOM 33 C LIG 1 -6.879 -1.579 0.928 0.00 0.00 +0.103 C ENDBRANCH 21 31 ENDBRANCH 1 25 TORSDOF 4