REMARK Name = BDB038747 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.006 -0.661 0.394 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.299 -1.256 1.564 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.562 -1.652 1.855 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.585 -1.431 0.938 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.327 -0.779 -0.271 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -3.004 -0.409 -0.541 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.883 0.585 -0.027 0.00 0.00 -0.033 A ATOM 8 C LIG 1 2.897 0.064 0.823 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.596 0.026 0.354 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.388 -0.465 1.034 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.669 -0.290 0.139 0.00 0.00 -0.248 N ATOM 12 C LIG 1 -0.227 0.297 -1.112 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.433 -0.907 2.166 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.238 0.477 -0.911 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.195 0.990 -1.767 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.520 1.041 -1.318 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.327 0.647 0.418 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.135 -0.310 -0.340 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 5.705 -1.229 -0.234 0.00 0.00 +0.123 HD BRANCH 18 21 ATOM 20 C LIG 1 8.153 -1.655 -0.442 0.00 0.00 +0.024 C ATOM 21 C LIG 1 7.534 -0.371 0.117 0.00 0.00 +0.054 C BRANCH 21 22 ATOM 22 C LIG 1 8.304 0.886 -0.310 0.00 0.00 +0.006 C ATOM 23 C LIG 1 8.441 1.249 -1.818 0.00 0.00 +0.005 C ATOM 24 C LIG 1 9.796 1.897 -1.460 0.00 0.00 +0.001 C ATOM 25 C LIG 1 9.861 0.929 -0.258 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -5.413 -0.475 -1.228 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -6.581 0.245 -0.873 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -7.593 0.457 -1.830 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -7.454 -0.010 -3.139 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -6.301 -0.706 -3.500 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.298 -0.939 -2.555 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -6.827 0.755 0.476 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -6.106 1.713 1.147 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -4.986 2.486 0.683 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -6.683 1.838 2.374 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -7.717 1.037 2.456 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -7.818 0.369 1.260 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -8.488 0.224 -4.104 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.312 0.421 -4.896 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -3.776 -2.309 3.203 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -4.787 -3.410 3.411 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -5.023 -2.055 4.017 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 9