REMARK Name = BDB026600 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.578 -0.862 -0.125 0.00 0.00 +0.148 A ATOM 2 C LIG 1 1.061 0.197 -0.903 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -0.347 0.351 -0.942 0.00 0.00 +0.010 A ATOM 4 C LIG 1 -0.880 1.429 -1.690 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -0.059 2.303 -2.405 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.316 2.128 -2.390 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -1.148 -0.575 -0.233 0.00 0.00 +0.078 A ATOM 8 C LIG 1 -0.509 -1.550 0.536 0.00 0.00 +0.138 A ATOM 9 C LIG 1 1.870 1.088 -1.647 0.00 0.00 +0.012 A ATOM 10 N LIG 1 0.825 -1.727 0.584 0.00 0.00 -0.236 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 2.995 -1.058 0.018 0.00 0.00 -0.188 N ATOM 12 C LIG 1 3.412 -2.477 -0.080 0.00 0.00 +0.159 C BRANCH 11 13 ATOM 13 S LIG 1 3.585 -0.237 1.404 0.00 0.00 +0.076 S ATOM 14 O LIG 1 3.330 -1.038 2.584 0.00 0.00 -0.150 OA ATOM 15 O LIG 1 3.190 1.156 1.343 0.00 0.00 -0.150 OA BRANCH 13 19 ATOM 16 C LIG 1 8.103 -0.258 0.671 0.00 0.00 +0.120 A ATOM 17 C LIG 1 7.538 -1.129 1.610 0.00 0.00 +0.047 A ATOM 18 C LIG 1 6.162 -1.132 1.844 0.00 0.00 +0.032 A ATOM 19 C LIG 1 5.346 -0.263 1.118 0.00 0.00 +0.109 A ATOM 20 C LIG 1 5.898 0.623 0.188 0.00 0.00 +0.032 A ATOM 21 C LIG 1 7.279 0.620 -0.037 0.00 0.00 +0.047 A BRANCH 16 23 ATOM 22 C LIG 1 10.097 0.538 -0.353 0.00 0.00 +0.277 C ATOM 23 O LIG 1 9.461 -0.363 0.545 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 13 19 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 7 24 ATOM 24 N LIG 1 -2.608 -0.478 -0.272 0.00 0.00 -0.190 N BRANCH 24 25 ATOM 25 S LIG 1 -3.205 0.262 1.190 0.00 0.00 +0.075 S ATOM 26 O LIG 1 -2.525 1.526 1.364 0.00 0.00 -0.150 OA ATOM 27 O LIG 1 -3.192 -0.754 2.221 0.00 0.00 -0.150 OA BRANCH 25 28 ATOM 28 C LIG 1 -4.893 0.629 0.785 0.00 0.00 +0.109 A ATOM 29 C LIG 1 -5.921 -0.200 1.241 0.00 0.00 +0.032 A ATOM 30 C LIG 1 -7.248 0.101 0.915 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -7.546 1.233 0.152 0.00 0.00 +0.120 A ATOM 32 C LIG 1 -6.508 2.070 -0.271 0.00 0.00 +0.047 A ATOM 33 C LIG 1 -5.181 1.777 0.045 0.00 0.00 +0.032 A BRANCH 31 34 ATOM 34 O LIG 1 -8.795 1.637 -0.231 0.00 0.00 -0.495 OA ATOM 35 C LIG 1 -9.876 0.767 0.081 0.00 0.00 +0.277 C ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 24 25 BRANCH 24 36 ATOM 36 C LIG 1 -3.298 -1.780 -0.610 0.00 0.00 +0.251 C BRANCH 36 37 ATOM 37 C LIG 1 -4.397 -1.548 -1.625 0.00 0.00 +0.324 C ATOM 38 O LIG 1 -5.358 -2.288 -1.772 0.00 0.00 -0.249 OA BRANCH 37 39 ATOM 39 O LIG 1 -4.179 -0.464 -2.406 0.00 0.00 -0.479 OA ATOM 40 H LIG 1 -3.355 -0.012 -2.127 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 24 36 ENDBRANCH 7 24 TORSDOF 11