REMARK Name = BDB053640 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.391 0.279 -1.104 0.00 0.00 +0.051 A ATOM 2 C LIG 1 3.759 -0.956 -0.977 0.00 0.00 +0.026 A ATOM 3 C LIG 1 2.380 -1.020 -0.756 0.00 0.00 +0.025 A ATOM 4 C LIG 1 1.601 0.143 -0.647 0.00 0.00 +0.034 A ATOM 5 C LIG 1 2.258 1.373 -0.755 0.00 0.00 +0.025 A ATOM 6 C LIG 1 3.641 1.445 -0.973 0.00 0.00 +0.026 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 0.228 0.006 -0.421 0.00 0.00 -0.284 N ATOM 8 H LIG 1 -0.138 -0.933 -0.382 0.00 0.00 +0.155 HD BRANCH 7 9 ATOM 9 C LIG 1 -0.826 0.902 -0.251 0.00 0.00 +0.221 A ATOM 10 N LIG 1 -2.024 0.312 -0.075 0.00 0.00 -0.195 NA ATOM 11 C LIG 1 -3.030 1.187 0.088 0.00 0.00 +0.164 A ATOM 12 C LIG 1 -2.929 2.563 0.090 0.00 0.00 +0.057 A ATOM 13 C LIG 1 -4.241 3.023 0.297 0.00 0.00 +0.146 A ATOM 14 N LIG 1 -5.122 2.025 0.421 0.00 0.00 -0.177 NA ATOM 15 C LIG 1 -1.661 3.084 -0.097 0.00 0.00 +0.127 A ATOM 16 N LIG 1 -4.360 0.910 0.287 0.00 0.00 -0.243 N ATOM 17 N LIG 1 -0.619 2.236 -0.265 0.00 0.00 -0.222 NA BRANCH 16 18 ATOM 18 C LIG 1 -4.970 -0.420 0.368 0.00 0.00 +0.109 C ATOM 19 C LIG 1 -6.041 -0.616 -0.720 0.00 0.00 +0.027 C ATOM 20 C LIG 1 -7.480 -0.306 -0.309 0.00 0.00 +0.002 C ATOM 21 C LIG 1 -8.169 -1.482 0.382 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -7.716 -1.748 1.812 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -6.219 -1.990 1.986 0.00 0.00 +0.002 C ATOM 24 C LIG 1 -5.391 -0.718 1.814 0.00 0.00 +0.027 C ENDBRANCH 16 18 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 25 ATOM 25 N LIG 1 5.822 0.281 -1.275 0.00 0.00 -0.203 N BRANCH 25 27 ATOM 26 C LIG 1 5.553 0.167 -3.982 0.00 0.00 +0.218 C ATOM 27 S LIG 1 6.421 1.030 -2.684 0.00 0.00 +0.043 S ATOM 28 O LIG 1 7.823 0.678 -2.794 0.00 0.00 -0.155 OA ATOM 29 O LIG 1 6.018 2.420 -2.689 0.00 0.00 -0.155 OA ENDBRANCH 25 27 BRANCH 25 30 ATOM 30 C LIG 1 6.591 0.651 -0.050 0.00 0.00 +0.166 C BRANCH 30 31 ATOM 31 C LIG 1 6.598 -0.461 0.975 0.00 0.00 -0.026 A ATOM 32 C LIG 1 5.769 -0.413 2.099 0.00 0.00 +0.025 A ATOM 33 C LIG 1 5.795 -1.478 2.985 0.00 0.00 +0.111 A ATOM 34 N LIG 1 6.577 -2.568 2.830 0.00 0.00 -0.263 NA ATOM 35 C LIG 1 7.367 -2.596 1.735 0.00 0.00 +0.111 A ATOM 36 C LIG 1 7.410 -1.584 0.790 0.00 0.00 +0.025 A ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 1 25 TORSDOF 7