REMARK Name = BDB011833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.881 -0.192 2.060 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.551 0.232 2.298 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -1.336 -0.543 2.858 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.939 1.496 1.855 0.00 0.00 -0.262 N ATOM 5 C LIG 1 -0.074 2.576 1.441 0.00 0.00 +0.058 A ATOM 6 C LIG 1 1.162 2.482 0.736 0.00 0.00 +0.059 A ATOM 7 C LIG 1 1.774 3.700 0.333 0.00 0.00 +0.044 A ATOM 8 C LIG 1 1.279 4.960 0.682 0.00 0.00 +0.054 A ATOM 9 C LIG 1 0.135 5.041 1.453 0.00 0.00 +0.021 A ATOM 10 N LIG 1 1.808 1.251 0.313 0.00 0.00 -0.266 N ATOM 11 C LIG 1 3.200 1.202 0.036 0.00 0.00 +0.241 C ATOM 12 O LIG 1 3.994 2.043 0.454 0.00 0.00 -0.273 OA ATOM 13 C LIG 1 -0.523 3.869 1.821 0.00 0.00 +0.026 A ATOM 14 C LIG 1 1.105 -0.006 0.559 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 2.261 -2.221 2.482 0.00 0.00 +0.230 C ATOM 16 N LIG 1 1.047 -1.577 2.486 0.00 0.00 -0.301 N ATOM 17 H LIG 1 0.230 -2.103 2.804 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 3.280 -1.673 2.072 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 2.214 -3.650 3.077 0.00 0.00 +0.137 C ATOM 20 C LIG 1 3.454 -4.436 2.653 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 0.621 -5.460 3.463 0.00 0.00 +0.101 C ATOM 22 N LIG 1 0.952 -4.300 2.646 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 1.050 -4.591 1.671 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 8 24 ATOM 24 C LIG 1 1.949 6.153 0.248 0.00 0.00 +0.099 C ATOM 25 N LIG 1 2.470 7.126 -0.110 0.00 0.00 -0.191 NA ENDBRANCH 8 24 BRANCH 4 26 ATOM 26 C LIG 1 -2.393 1.641 1.616 0.00 0.00 +0.171 C BRANCH 26 27 ATOM 27 C LIG 1 -2.704 1.166 0.219 0.00 0.00 +0.089 A ATOM 28 C LIG 1 -2.728 1.924 -0.981 0.00 0.00 +0.025 A ATOM 29 C LIG 1 -2.998 0.994 -1.989 0.00 0.00 +0.075 A ATOM 30 C LIG 1 -2.940 1.353 -3.348 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -2.706 2.697 -3.667 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -2.508 3.648 -2.671 0.00 0.00 +0.001 A ATOM 33 N LIG 1 -3.248 -0.206 -1.332 0.00 0.00 -0.231 N ATOM 34 C LIG 1 -2.509 3.274 -1.324 0.00 0.00 +0.012 A ATOM 35 N LIG 1 -2.909 -0.136 -0.019 0.00 0.00 -0.169 NA BRANCH 33 36 ATOM 36 C LIG 1 -3.723 -1.446 -1.846 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -4.733 -1.540 -2.820 0.00 0.00 +0.077 A ATOM 38 C LIG 1 -5.134 -2.814 -3.269 0.00 0.00 +0.021 A ATOM 39 C LIG 1 -4.571 -3.975 -2.736 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -3.608 -3.881 -1.737 0.00 0.00 +0.002 A ATOM 41 C LIG 1 -3.195 -2.627 -1.284 0.00 0.00 +0.029 A BRANCH 37 42 ATOM 42 C LIG 1 -5.502 -0.422 -3.290 0.00 0.00 +0.101 C ATOM 43 N LIG 1 -6.153 0.455 -3.689 0.00 0.00 -0.191 NA ENDBRANCH 37 42 ENDBRANCH 33 36 ENDBRANCH 26 27 ENDBRANCH 4 26 BRANCH 11 44 ATOM 44 C LIG 1 3.648 0.070 -0.850 0.00 0.00 +0.261 C BRANCH 44 45 ATOM 45 S LIG 1 5.064 0.474 -1.842 0.00 0.00 -0.025 S ATOM 46 O LIG 1 4.990 -0.384 -3.015 0.00 0.00 -0.174 OA ATOM 47 O LIG 1 6.257 0.452 -1.019 0.00 0.00 -0.174 OA ATOM 48 C LIG 1 4.819 2.137 -2.432 0.00 0.00 +0.194 C ENDBRANCH 44 45 ENDBRANCH 11 44 TORSDOF 10