REMARK Name = BDB001476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.836 -0.153 0.238 0.00 0.00 +0.151 A ATOM 2 C LIG 1 5.695 -0.699 0.873 0.00 0.00 +0.012 A ATOM 3 C LIG 1 5.530 -1.773 1.894 0.00 0.00 +0.044 C ATOM 4 C LIG 1 4.187 -1.624 2.655 0.00 0.00 +0.043 C ATOM 5 C LIG 1 3.038 -1.129 1.810 0.00 0.00 -0.001 A ATOM 6 C LIG 1 3.237 -0.320 0.703 0.00 0.00 +0.097 A ATOM 7 N LIG 1 2.257 0.203 -0.050 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 1.000 -0.089 0.323 0.00 0.00 +0.220 A ATOM 9 N LIG 1 0.703 -0.851 1.390 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 1.722 -1.350 2.115 0.00 0.00 +0.120 A ATOM 11 C LIG 1 4.609 -0.049 0.319 0.00 0.00 +0.091 A ATOM 12 N LIG 1 5.121 0.832 -0.586 0.00 0.00 -0.264 N ATOM 13 C LIG 1 4.398 1.760 -1.422 0.00 0.00 +0.173 C ATOM 14 N LIG 1 6.473 0.795 -0.657 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 18 ATOM 15 C LIG 1 10.522 -0.041 -0.387 0.00 0.00 +0.128 C ATOM 16 N LIG 1 9.117 0.239 -0.311 0.00 0.00 -0.313 N ATOM 17 H LIG 1 8.668 0.861 -0.980 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 8.249 -0.515 0.447 0.00 0.00 +0.264 C ATOM 19 O LIG 1 8.607 -1.407 1.211 0.00 0.00 -0.268 OA ENDBRANCH 1 18 BRANCH 8 20 ATOM 20 N LIG 1 0.010 0.464 -0.485 0.00 0.00 -0.284 N ATOM 21 H LIG 1 0.446 0.982 -1.232 0.00 0.00 +0.155 HD BRANCH 20 22 ATOM 22 C LIG 1 -1.386 0.424 -0.480 0.00 0.00 +0.034 A ATOM 23 C LIG 1 -2.084 1.110 -1.480 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -3.487 1.111 -1.530 0.00 0.00 +0.025 A ATOM 25 C LIG 1 -4.264 0.433 -0.584 0.00 0.00 +0.030 A ATOM 26 C LIG 1 -3.554 -0.249 0.413 0.00 0.00 +0.025 A ATOM 27 C LIG 1 -2.149 -0.255 0.465 0.00 0.00 +0.025 A BRANCH 25 28 ATOM 28 N LIG 1 -5.647 0.432 -0.630 0.00 0.00 -0.327 N ATOM 29 C LIG 1 -6.458 0.133 0.562 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -7.841 0.822 0.488 0.00 0.00 +0.103 C ATOM 31 N LIG 1 -8.646 0.526 -0.716 0.00 0.00 -0.302 NA ATOM 32 C LIG 1 -9.650 -0.502 -0.459 0.00 0.00 +0.105 C ATOM 33 C LIG 1 -7.785 0.138 -1.855 0.00 0.00 +0.103 C ATOM 34 C LIG 1 -6.387 0.800 -1.848 0.00 0.00 +0.120 C ENDBRANCH 25 28 ENDBRANCH 20 22 ENDBRANCH 8 20 TORSDOF 4