REMARK Name = BDB007242 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.931 -2.859 2.800 0.00 0.00 +0.125 C ATOM 2 C LIG 1 2.408 -4.168 2.190 0.00 0.00 +0.187 C ATOM 3 O LIG 1 1.025 -4.012 1.867 0.00 0.00 -0.349 OA ATOM 4 C LIG 1 0.252 -3.908 3.063 0.00 0.00 +0.254 C ATOM 5 O LIG 1 0.893 -3.205 4.130 0.00 0.00 -0.349 OA ATOM 6 C LIG 1 1.828 -2.234 3.670 0.00 0.00 +0.187 C ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 4.501 -2.173 1.025 0.00 0.00 +0.237 C ATOM 8 N LIG 1 3.391 -1.919 1.776 0.00 0.00 -0.305 N ATOM 9 H LIG 1 2.922 -1.015 1.701 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 5.221 -3.152 1.172 0.00 0.00 -0.271 OA BRANCH 7 12 ATOM 11 C LIG 1 4.078 -0.444 -0.800 0.00 0.00 +0.022 C ATOM 12 C LIG 1 4.873 -1.138 0.031 0.00 0.00 +0.066 C BRANCH 11 13 ATOM 13 C LIG 1 2.579 -0.490 -0.953 0.00 0.00 +0.198 C ATOM 14 C LIG 1 2.202 -0.920 -2.371 0.00 0.00 +0.057 C BRANCH 13 15 ATOM 15 O LIG 1 2.083 0.848 -0.781 0.00 0.00 -0.443 OA BRANCH 15 19 ATOM 16 C LIG 1 1.115 3.248 1.695 0.00 0.00 +0.131 C ATOM 17 N LIG 1 1.388 2.511 0.494 0.00 0.00 -0.284 N ATOM 18 H LIG 1 1.280 2.939 -0.417 0.00 0.00 +0.152 HD ATOM 19 C LIG 1 1.855 1.236 0.495 0.00 0.00 +0.401 C ATOM 20 O LIG 1 2.054 0.557 1.493 0.00 0.00 -0.226 OA ENDBRANCH 15 19 ENDBRANCH 13 15 ENDBRANCH 11 13 ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 4 21 ATOM 21 C LIG 1 -1.153 -3.361 2.752 0.00 0.00 +0.088 C BRANCH 21 22 ATOM 22 C LIG 1 -1.209 -1.932 2.272 0.00 0.00 -0.019 C ATOM 23 C LIG 1 -1.386 -1.486 1.011 0.00 0.00 -0.054 C ATOM 24 C LIG 1 -1.477 -2.394 -0.188 0.00 0.00 +0.043 C BRANCH 23 25 ATOM 25 C LIG 1 -1.476 -0.043 0.789 0.00 0.00 +0.001 C ATOM 26 C LIG 1 -1.816 0.571 -0.358 0.00 0.00 +0.004 C BRANCH 26 27 ATOM 27 C LIG 1 -1.934 2.069 -0.498 0.00 0.00 +0.145 C ATOM 28 O LIG 1 -1.120 2.480 -1.601 0.00 0.00 -0.366 OA ATOM 29 C LIG 1 -1.776 2.824 -2.832 0.00 0.00 +0.067 C ATOM 30 C LIG 1 -0.792 2.422 -3.941 0.00 0.00 +0.041 C ATOM 31 C LIG 1 -1.955 4.348 -2.889 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -3.103 2.072 -3.052 0.00 0.00 +0.072 C ATOM 33 C LIG 1 -4.018 2.192 -1.870 0.00 0.00 +0.098 C ATOM 34 O LIG 1 -5.238 2.905 -2.128 0.00 0.00 -0.368 OA ATOM 35 C LIG 1 -5.363 1.496 -1.901 0.00 0.00 +0.195 C ATOM 36 C LIG 1 -3.388 2.540 -0.557 0.00 0.00 +0.073 C ENDBRANCH 26 27 ENDBRANCH 23 25 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 9