REMARK Name = BDB004946 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.971 -1.151 -1.176 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -2.490 -2.165 -2.201 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 1.758 -1.217 -0.283 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.520 -0.823 -0.799 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.630 -1.612 -0.607 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.518 -2.807 0.121 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.712 -3.207 0.637 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.843 -2.416 0.434 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 3.144 0.731 -1.082 0.00 0.00 +0.273 C ATOM 10 N LIG 1 2.945 -0.481 -0.435 0.00 0.00 -0.280 N ATOM 11 H LIG 1 3.791 -0.864 -0.020 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 2.268 1.378 -1.651 0.00 0.00 -0.268 OA BRANCH 9 15 ATOM 13 C LIG 1 6.695 1.076 -0.460 0.00 0.00 +0.052 A ATOM 14 N LIG 1 5.467 0.432 -0.383 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 4.544 1.153 -1.000 0.00 0.00 +0.163 A ATOM 16 S LIG 1 5.085 2.618 -1.699 0.00 0.00 -0.071 S ATOM 17 C LIG 1 6.669 2.281 -1.141 0.00 0.00 +0.071 A BRANCH 13 19 ATOM 18 C LIG 1 8.991 0.118 -0.825 0.00 0.00 +0.014 C ATOM 19 C LIG 1 7.886 0.420 0.188 0.00 0.00 +0.032 C ATOM 20 C LIG 1 8.429 1.255 1.348 0.00 0.00 +0.014 C ENDBRANCH 13 19 ENDBRANCH 9 15 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 N LIG 1 -2.911 -1.013 -0.055 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -2.426 -0.646 0.761 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -4.050 -0.205 -0.265 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -4.997 -0.070 0.772 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -6.101 0.767 0.518 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -7.052 0.922 1.548 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -6.911 0.260 2.784 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -5.829 -0.573 3.018 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -6.223 1.389 -0.677 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -5.276 1.173 -1.597 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -4.881 -0.738 2.018 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -4.198 0.406 -1.449 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -8.268 1.786 1.418 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -9.059 1.925 2.346 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -8.489 2.428 0.236 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -9.294 3.031 0.148 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -7.829 2.345 -0.532 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 7