REMARK Name = BDB036339 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.498 -0.921 -0.390 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.003 -1.053 -1.710 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.224 -0.506 -2.087 0.00 0.00 -0.010 A ATOM 4 C LIG 1 1.504 -0.732 -3.478 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.521 -1.443 -4.114 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.984 0.181 -1.110 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.566 0.289 0.228 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -0.754 -1.836 -3.060 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.326 -0.258 0.552 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.872 -1.399 0.056 0.00 0.00 +0.121 C BRANCH 10 20 ATOM 11 C LIG 1 -4.428 0.519 -1.141 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -4.607 -0.841 -1.550 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -5.204 -1.617 -0.594 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -4.902 -1.632 0.773 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -5.569 -2.458 1.634 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 -6.511 -3.288 1.129 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -6.827 -3.360 -0.212 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -3.810 -0.790 1.433 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -4.423 0.348 2.264 0.00 0.00 +0.031 C ATOM 20 N LIG 1 -2.697 -0.297 0.593 0.00 0.00 -0.286 NA ATOM 21 C LIG 1 -6.156 -2.513 -1.083 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -3.076 0.702 -0.421 0.00 0.00 +0.130 C BRANCH 11 24 ATOM 23 C LIG 1 -5.840 1.413 -3.052 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -4.466 1.403 -2.400 0.00 0.00 +0.042 C ENDBRANCH 11 24 ENDBRANCH 10 20 ENDBRANCH 1 10 BRANCH 7 25 ATOM 25 C LIG 1 2.375 1.108 1.239 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 3.895 1.216 1.002 0.00 0.00 -0.034 A ATOM 27 C LIG 1 4.773 0.111 0.810 0.00 0.00 -0.017 A ATOM 28 C LIG 1 4.345 -1.323 0.761 0.00 0.00 +0.046 C ATOM 29 C LIG 1 6.145 0.404 0.627 0.00 0.00 +0.116 A ATOM 30 N LIG 1 7.202 -0.445 0.404 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 8.308 0.276 0.312 0.00 0.00 -0.065 NA ATOM 32 N LIG 1 7.955 1.567 0.455 0.00 0.00 -0.247 N ATOM 33 C LIG 1 8.973 2.581 0.412 0.00 0.00 +0.175 C ATOM 34 C LIG 1 6.609 1.712 0.648 0.00 0.00 +0.089 A ATOM 35 C LIG 1 5.777 2.807 0.840 0.00 0.00 +0.030 A ATOM 36 C LIG 1 4.423 2.530 1.016 0.00 0.00 +0.007 A ENDBRANCH 25 26 BRANCH 25 37 ATOM 37 C LIG 1 2.065 0.956 2.745 0.00 0.00 +0.133 C BRANCH 37 38 ATOM 38 C LIG 1 2.461 -0.354 3.354 0.00 0.00 +0.306 C ATOM 39 O LIG 1 3.580 -0.672 3.714 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 1.433 -1.203 3.512 0.00 0.00 -0.481 OA ATOM 41 H LIG 1 1.834 -2.011 3.891 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 25 37 ENDBRANCH 7 25 TORSDOF 8