REMARK Name = BDB007510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.294 -1.589 -1.309 0.00 0.00 +0.244 C ATOM 2 N LIG 1 1.079 -1.053 -1.673 0.00 0.00 -0.309 N ATOM 3 H LIG 1 1.029 -0.075 -1.937 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 2.524 -2.793 -1.302 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 5.434 1.133 -0.219 0.00 0.00 +0.048 A ATOM 6 C LIG 1 5.729 -0.135 -0.717 0.00 0.00 +0.025 A ATOM 7 C LIG 1 4.696 -1.012 -1.062 0.00 0.00 +0.015 A ATOM 8 C LIG 1 3.359 -0.618 -0.932 0.00 0.00 +0.037 A ATOM 9 C LIG 1 3.064 0.658 -0.436 0.00 0.00 +0.015 A ATOM 10 C LIG 1 4.101 1.532 -0.089 0.00 0.00 +0.025 A BRANCH 5 11 ATOM 11 N LIG 1 6.453 2.058 0.142 0.00 0.00 -0.221 N ATOM 12 H LIG 1 6.200 3.043 0.207 0.00 0.00 +0.173 HD BRANCH 11 14 ATOM 13 C LIG 1 6.711 1.215 2.697 0.00 0.00 +0.218 C ATOM 14 S LIG 1 7.653 1.636 1.242 0.00 0.00 +0.040 S ATOM 15 O LIG 1 8.352 0.456 0.786 0.00 0.00 -0.155 OA ATOM 16 O LIG 1 8.364 2.864 1.528 0.00 0.00 -0.155 OA ENDBRANCH 11 14 ENDBRANCH 5 11 ENDBRANCH 1 8 BRANCH 2 17 ATOM 17 C LIG 1 0.031 -1.880 -2.249 0.00 0.00 +0.137 C BRANCH 17 18 ATOM 18 C LIG 1 -1.349 -1.231 -2.097 0.00 0.00 +0.145 C BRANCH 18 19 ATOM 19 O LIG 1 -1.292 0.128 -2.568 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -2.071 0.557 -2.153 0.00 0.00 +0.210 HD ENDBRANCH 18 19 BRANCH 18 21 ATOM 21 C LIG 1 -1.836 -1.233 -0.631 0.00 0.00 +0.117 C BRANCH 21 22 ATOM 22 N LIG 1 -3.075 -0.432 -0.475 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 -3.284 -0.125 0.958 0.00 0.00 +0.120 C ATOM 24 C LIG 1 -4.600 0.566 1.247 0.00 0.00 -0.030 A ATOM 25 C LIG 1 -5.675 0.477 0.346 0.00 0.00 -0.042 A ATOM 26 C LIG 1 -6.893 1.099 0.650 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -7.053 1.784 1.854 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -5.996 1.857 2.759 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.494 -0.232 -0.970 0.00 0.00 +0.051 C ATOM 30 C LIG 1 -4.777 1.249 2.460 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.261 -1.148 -0.985 0.00 0.00 +0.089 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 2 17 TORSDOF 8