REMARK Name = BDB000370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.762 0.819 0.272 0.00 0.00 +0.080 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.266 -0.301 1.086 0.00 0.00 -0.325 NA ATOM 3 H LIG 1 -0.311 -1.162 0.540 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 -0.932 -0.458 1.847 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 0.001 0.937 -1.057 0.00 0.00 +0.025 C BRANCH 5 6 ATOM 6 C LIG 1 1.545 1.133 -1.047 0.00 0.00 -0.003 C BRANCH 6 7 ATOM 7 C LIG 1 2.089 2.404 -0.321 0.00 0.00 -0.014 C ATOM 8 C LIG 1 1.320 3.670 -0.714 0.00 0.00 +0.007 C ATOM 9 C LIG 1 2.203 2.320 1.204 0.00 0.00 +0.007 C ENDBRANCH 6 7 BRANCH 6 10 ATOM 10 C LIG 1 2.295 -0.173 -0.677 0.00 0.00 +0.039 C BRANCH 10 15 ATOM 11 C LIG 1 6.122 -0.178 -0.636 0.00 0.00 +0.162 A ATOM 12 C LIG 1 6.417 -0.253 -2.011 0.00 0.00 +0.162 A ATOM 13 C LIG 1 5.370 -0.311 -2.937 0.00 0.00 +0.049 A ATOM 14 C LIG 1 4.042 -0.288 -2.504 0.00 0.00 +0.007 A ATOM 15 C LIG 1 3.736 -0.203 -1.141 0.00 0.00 -0.043 A ATOM 16 C LIG 1 4.787 -0.157 -0.213 0.00 0.00 +0.053 A BRANCH 12 17 ATOM 17 O LIG 1 7.750 -0.271 -2.344 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 8.082 -0.267 -3.725 0.00 0.00 +0.277 C ENDBRANCH 12 17 BRANCH 11 19 ATOM 19 O LIG 1 7.205 -0.131 0.207 0.00 0.00 -0.488 OA BRANCH 19 20 ATOM 20 C LIG 1 6.961 -0.023 1.609 0.00 0.00 +0.231 C BRANCH 20 21 ATOM 21 C LIG 1 8.309 0.030 2.325 0.00 0.00 +0.069 C BRANCH 21 22 ATOM 22 C LIG 1 9.074 -1.284 2.205 0.00 0.00 +0.163 C BRANCH 22 24 ATOM 23 C LIG 1 9.008 -3.562 2.802 0.00 0.00 +0.193 C ATOM 24 O LIG 1 8.380 -2.293 2.939 0.00 0.00 -0.383 OA ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 ENDBRANCH 10 15 ENDBRANCH 6 10 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 25 ATOM 25 C LIG 1 -2.299 0.638 0.061 0.00 0.00 +0.132 C BRANCH 25 26 ATOM 26 O LIG 1 -2.926 0.449 1.343 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 -2.652 1.196 1.906 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -2.964 1.822 -0.655 0.00 0.00 +0.045 C BRANCH 28 29 ATOM 29 C LIG 1 -4.504 1.854 -0.585 0.00 0.00 +0.074 C ATOM 30 C LIG 1 -5.033 3.090 -1.316 0.00 0.00 +0.017 C BRANCH 29 31 ATOM 31 C LIG 1 -5.127 0.591 -1.175 0.00 0.00 +0.216 C ATOM 32 N LIG 1 -5.154 -0.465 -0.298 0.00 0.00 -0.314 N ATOM 33 H LIG 1 -4.705 -0.355 0.610 0.00 0.00 +0.149 HD ATOM 34 O LIG 1 -5.541 0.525 -2.328 0.00 0.00 -0.276 OA BRANCH 32 35 ATOM 35 C LIG 1 -5.724 -1.756 -0.630 0.00 0.00 +0.119 C BRANCH 35 36 ATOM 36 C LIG 1 -6.636 -2.300 0.491 0.00 0.00 +0.103 C BRANCH 36 37 ATOM 37 N LIG 1 -7.698 -1.375 0.930 0.00 0.00 -0.297 NA ATOM 38 C LIG 1 -8.489 -1.932 2.048 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -9.833 -2.532 1.606 0.00 0.00 +0.175 C ATOM 40 O LIG 1 -10.688 -1.587 0.947 0.00 0.00 -0.377 OA ATOM 41 C LIG 1 -9.964 -0.528 0.303 0.00 0.00 +0.175 C ATOM 42 C LIG 1 -8.580 -0.975 -0.189 0.00 0.00 +0.112 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 20