REMARK Name = BDB013474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.835 1.369 -1.637 0.00 0.00 +0.060 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.905 2.815 -1.107 0.00 0.00 -0.034 A ATOM 3 C LIG 1 0.705 3.578 -0.932 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -0.657 3.020 -1.255 0.00 0.00 +0.046 C ATOM 5 C LIG 1 0.827 4.893 -0.429 0.00 0.00 +0.116 A ATOM 6 N LIG 1 -0.138 5.835 -0.167 0.00 0.00 -0.129 NA ATOM 7 N LIG 1 0.457 6.926 0.294 0.00 0.00 -0.065 NA ATOM 8 N LIG 1 1.778 6.678 0.330 0.00 0.00 -0.247 N ATOM 9 C LIG 1 2.674 7.701 0.795 0.00 0.00 +0.175 C ATOM 10 C LIG 1 2.074 5.418 -0.116 0.00 0.00 +0.089 A ATOM 11 C LIG 1 3.257 4.704 -0.274 0.00 0.00 +0.030 A ATOM 12 C LIG 1 3.144 3.400 -0.771 0.00 0.00 +0.007 A ENDBRANCH 1 2 BRANCH 1 17 ATOM 13 C LIG 1 -0.418 -2.438 2.206 0.00 0.00 +0.044 C ATOM 14 C LIG 1 0.171 -1.508 1.183 0.00 0.00 -0.046 A ATOM 15 C LIG 1 -0.173 -1.570 -0.182 0.00 0.00 -0.028 A ATOM 16 C LIG 1 0.401 -0.638 -1.069 0.00 0.00 +0.009 A ATOM 17 C LIG 1 1.276 0.368 -0.629 0.00 0.00 -0.039 A ATOM 18 C LIG 1 1.607 0.411 0.728 0.00 0.00 +0.004 A ATOM 19 C LIG 1 1.060 -0.512 1.620 0.00 0.00 +0.004 A BRANCH 15 20 ATOM 20 C LIG 1 -1.182 -2.560 -0.737 0.00 0.00 +0.144 C BRANCH 20 21 ATOM 21 N LIG 1 -2.583 -2.137 -0.470 0.00 0.00 -0.171 NA ATOM 22 S LIG 1 -3.358 -1.436 -1.829 0.00 0.00 +0.063 S ATOM 23 O LIG 1 -3.945 -2.498 -2.620 0.00 0.00 -0.153 OA ATOM 24 O LIG 1 -2.399 -0.541 -2.452 0.00 0.00 -0.153 OA ATOM 25 C LIG 1 -4.641 -0.419 -1.140 0.00 0.00 +0.126 A ATOM 26 C LIG 1 -5.686 -0.974 -0.383 0.00 0.00 +0.056 A ATOM 27 C LIG 1 -6.707 -0.095 0.029 0.00 0.00 +0.025 A ATOM 28 C LIG 1 -6.681 1.270 -0.277 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -5.628 1.798 -1.011 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -5.697 -2.327 -0.015 0.00 0.00 -0.330 N ATOM 31 C LIG 1 -6.984 -2.968 0.241 0.00 0.00 +0.129 C ATOM 32 C LIG 1 -4.616 -2.667 0.927 0.00 0.00 +0.122 C ATOM 33 C LIG 1 -4.611 0.955 -1.447 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -3.378 -3.208 0.205 0.00 0.00 +0.128 C ENDBRANCH 20 21 ENDBRANCH 15 20 ENDBRANCH 1 17 BRANCH 1 35 ATOM 35 C LIG 1 3.078 0.818 -2.367 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 4.042 0.060 -1.485 0.00 0.00 +0.308 C ATOM 37 O LIG 1 4.797 0.569 -0.668 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 3.947 -1.279 -1.720 0.00 0.00 -0.463 OA BRANCH 38 39 ATOM 39 C LIG 1 4.782 -2.116 -0.902 0.00 0.00 +0.253 C BRANCH 39 40 ATOM 40 C LIG 1 4.157 -2.322 0.473 0.00 0.00 +0.163 C BRANCH 40 41 ATOM 41 N LIG 1 4.870 -3.302 1.259 0.00 0.00 -0.334 N ATOM 42 C LIG 1 4.575 -4.632 1.337 0.00 0.00 +0.199 A ATOM 43 N LIG 1 5.406 -5.259 2.139 0.00 0.00 -0.244 NA ATOM 44 C LIG 1 6.261 -4.292 2.602 0.00 0.00 +0.130 A ATOM 45 C LIG 1 5.944 -3.064 2.069 0.00 0.00 +0.107 A ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 10