REMARK Name = BDB024465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.045 -0.868 0.135 0.00 0.00 +0.263 C ATOM 2 N LIG 1 0.462 0.074 -0.682 0.00 0.00 -0.308 N ATOM 3 H LIG 1 1.091 0.582 -1.297 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.445 -1.530 0.973 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 4.419 -0.228 -1.064 0.00 0.00 +0.220 A ATOM 6 N LIG 1 3.101 -0.116 -0.884 0.00 0.00 -0.210 NA ATOM 7 C LIG 1 2.518 -1.027 -0.072 0.00 0.00 +0.132 A ATOM 8 C LIG 1 3.185 -2.043 0.561 0.00 0.00 +0.076 A ATOM 9 C LIG 1 4.526 -2.101 0.303 0.00 0.00 +0.125 A ATOM 10 N LIG 1 5.138 -1.206 -0.489 0.00 0.00 -0.200 NA BRANCH 5 15 ATOM 11 C LIG 1 6.525 3.742 0.713 0.00 0.00 +0.105 C ATOM 12 N LIG 1 6.236 2.994 -0.509 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 4.773 2.865 -0.711 0.00 0.00 +0.103 C ATOM 14 C LIG 1 4.424 2.019 -1.961 0.00 0.00 +0.123 C ATOM 15 N LIG 1 5.062 0.693 -1.891 0.00 0.00 -0.297 N ATOM 16 C LIG 1 6.520 0.793 -1.703 0.00 0.00 +0.123 C ATOM 17 C LIG 1 6.863 1.651 -0.459 0.00 0.00 +0.103 C ENDBRANCH 5 15 BRANCH 9 18 ATOM 18 N LIG 1 5.357 -3.076 0.868 0.00 0.00 -0.326 N ATOM 19 H LIG 1 6.264 -3.003 0.414 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 4.960 -4.394 1.264 0.00 0.00 +0.072 C ATOM 21 C LIG 1 4.485 -4.463 2.735 0.00 0.00 +0.022 C ATOM 22 C LIG 1 5.933 -4.803 3.139 0.00 0.00 +0.004 C ATOM 23 C LIG 1 6.166 -5.265 1.688 0.00 0.00 +0.022 C ENDBRANCH 18 20 ENDBRANCH 9 18 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 -0.937 0.457 -0.582 0.00 0.00 +0.137 C BRANCH 24 25 ATOM 25 C LIG 1 -1.482 0.987 -1.918 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 O LIG 1 -1.576 -0.076 -2.874 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -1.938 0.293 -3.697 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -2.833 1.732 -1.769 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -3.856 1.113 -0.907 0.00 0.00 -0.294 NA ATOM 30 C LIG 1 -4.989 2.055 -0.723 0.00 0.00 +0.138 C ATOM 31 C LIG 1 -6.129 1.392 -0.026 0.00 0.00 +0.037 A ATOM 32 N LIG 1 -7.211 2.006 0.550 0.00 0.00 -0.345 N ATOM 33 C LIG 1 -8.058 1.053 1.092 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -7.498 -0.201 0.820 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -8.166 -1.359 1.266 0.00 0.00 +0.010 A ATOM 36 C LIG 1 -9.366 -1.233 1.974 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -9.906 0.024 2.234 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -9.265 1.188 1.799 0.00 0.00 +0.026 A ATOM 39 C LIG 1 -7.454 3.432 0.606 0.00 0.00 +0.149 C ATOM 40 C LIG 1 -6.292 0.030 0.111 0.00 0.00 -0.016 A ATOM 41 C LIG 1 -5.272 -0.917 -0.413 0.00 0.00 +0.053 C ATOM 42 C LIG 1 -4.328 -0.200 -1.413 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 9