REMARK Name = BDB051534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.367 -1.029 -1.369 0.00 0.00 +0.162 A ATOM 2 C LIG 1 2.276 0.038 -1.413 0.00 0.00 +0.164 A ATOM 3 C LIG 1 2.076 1.074 -2.333 0.00 0.00 +0.078 A ATOM 4 C LIG 1 1.022 1.064 -3.241 0.00 0.00 +0.080 A ATOM 5 C LIG 1 0.116 -0.004 -3.222 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -0.917 0.055 -4.190 0.00 0.00 +0.136 A ATOM 7 N LIG 1 -0.999 1.066 -5.084 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 -0.075 2.026 -4.994 0.00 0.00 +0.223 A ATOM 9 N LIG 1 0.927 2.078 -4.108 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 0.305 -1.049 -2.278 0.00 0.00 +0.062 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 0.648 -3.039 -0.292 0.00 0.00 +0.277 C ATOM 12 O LIG 1 1.610 -2.000 -0.431 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 6 13 ATOM 13 N LIG 1 -1.909 -0.977 -4.222 0.00 0.00 -0.288 N ATOM 14 C LIG 1 -2.515 -1.088 -5.560 0.00 0.00 +0.137 C BRANCH 13 15 ATOM 15 C LIG 1 -2.908 -1.123 -3.208 0.00 0.00 +0.038 A ATOM 16 C LIG 1 -3.266 -0.062 -2.356 0.00 0.00 +0.069 A ATOM 17 C LIG 1 -4.242 -0.220 -1.357 0.00 0.00 +0.132 A ATOM 18 C LIG 1 -4.865 -1.472 -1.189 0.00 0.00 +0.049 A ATOM 19 C LIG 1 -4.514 -2.530 -2.041 0.00 0.00 +0.016 A ATOM 20 C LIG 1 -3.544 -2.360 -3.031 0.00 0.00 +0.024 A BRANCH 18 21 ATOM 21 C LIG 1 -5.902 -1.726 -0.178 0.00 0.00 +0.113 A ATOM 22 S LIG 1 -5.541 -1.567 1.498 0.00 0.00 -0.067 S ATOM 23 C LIG 1 -7.136 -2.088 1.891 0.00 0.00 +0.040 A ATOM 24 C LIG 1 -7.827 -2.364 0.709 0.00 0.00 +0.079 A ATOM 25 C LIG 1 -9.162 -2.809 0.792 0.00 0.00 +0.029 A ATOM 26 C LIG 1 -9.765 -2.969 2.043 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -9.056 -2.691 3.208 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -7.732 -2.246 3.153 0.00 0.00 +0.017 A ATOM 29 N LIG 1 -7.108 -2.179 -0.459 0.00 0.00 -0.239 NA ENDBRANCH 18 21 BRANCH 17 30 ATOM 30 O LIG 1 -4.659 0.791 -0.526 0.00 0.00 -0.494 OA ATOM 31 C LIG 1 -4.078 2.079 -0.699 0.00 0.00 +0.277 C ENDBRANCH 17 30 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 2 32 ATOM 32 O LIG 1 3.317 -0.011 -0.519 0.00 0.00 -0.488 OA BRANCH 32 33 ATOM 33 C LIG 1 4.424 0.864 -0.752 0.00 0.00 +0.230 C BRANCH 33 34 ATOM 34 C LIG 1 5.604 0.417 0.112 0.00 0.00 +0.056 C BRANCH 34 35 ATOM 35 C LIG 1 5.347 0.556 1.620 0.00 0.00 +0.088 C BRANCH 35 36 ATOM 36 N LIG 1 5.148 1.957 2.038 0.00 0.00 -0.300 NA ATOM 37 C LIG 1 6.435 2.690 2.150 0.00 0.00 +0.100 C ATOM 38 C LIG 1 7.087 2.743 3.561 0.00 0.00 +0.099 C ATOM 39 N LIG 1 6.748 1.576 4.386 0.00 0.00 -0.303 NA ATOM 40 C LIG 1 7.434 1.596 5.671 0.00 0.00 +0.105 C ATOM 41 C LIG 1 5.285 1.468 4.550 0.00 0.00 +0.099 C ATOM 42 C LIG 1 4.463 2.007 3.346 0.00 0.00 +0.100 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 10