REMARK Name = BDB003786 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.063 -1.252 -0.239 0.00 0.00 -0.284 N ATOM 2 H LIG 1 1.200 -1.990 0.436 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 2.293 -0.667 -0.524 0.00 0.00 +0.221 A ATOM 4 N LIG 1 3.340 -1.203 0.115 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 4.585 -0.693 -0.084 0.00 0.00 +0.163 A ATOM 6 N LIG 1 5.659 -1.305 0.615 0.00 0.00 -0.326 N ATOM 7 C LIG 1 6.488 -0.523 1.444 0.00 0.00 +0.058 A ATOM 8 C LIG 1 7.201 0.567 0.924 0.00 0.00 +0.063 A ATOM 9 C LIG 1 7.244 0.891 -0.521 0.00 0.00 +0.261 A ATOM 10 N LIG 1 6.095 0.886 -1.320 0.00 0.00 -0.307 N ATOM 11 C LIG 1 6.230 1.502 -2.640 0.00 0.00 +0.152 C ATOM 12 O LIG 1 8.334 1.279 -0.952 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 8.021 1.357 1.761 0.00 0.00 +0.018 A ATOM 14 C LIG 1 8.127 1.083 3.120 0.00 0.00 +0.039 A ATOM 15 C LIG 1 7.424 0.012 3.639 0.00 0.00 +0.125 A ATOM 16 F LIG 1 7.514 -0.267 4.946 0.00 0.00 -0.205 F ATOM 17 C LIG 1 6.620 -0.783 2.824 0.00 0.00 +0.065 A ATOM 18 C LIG 1 5.334 -2.659 1.077 0.00 0.00 +0.151 C ATOM 19 C LIG 1 4.810 0.365 -0.962 0.00 0.00 +0.106 A ATOM 20 C LIG 1 3.657 0.831 -1.576 0.00 0.00 +0.144 A ATOM 21 N LIG 1 2.414 0.351 -1.374 0.00 0.00 -0.220 NA ENDBRANCH 1 3 BRANCH 1 25 ATOM 22 C LIG 1 -2.968 -0.623 -1.420 0.00 0.00 -0.022 A ATOM 23 C LIG 1 -1.957 0.207 -1.946 0.00 0.00 +0.061 A ATOM 24 C LIG 1 -0.616 -0.005 -1.552 0.00 0.00 +0.036 A ATOM 25 C LIG 1 -0.251 -1.009 -0.650 0.00 0.00 +0.034 A ATOM 26 C LIG 1 -1.272 -1.821 -0.142 0.00 0.00 +0.023 A ATOM 27 C LIG 1 -2.604 -1.635 -0.517 0.00 0.00 +0.007 A BRANCH 23 28 ATOM 28 C LIG 1 -2.265 1.319 -2.922 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -2.837 0.861 -4.071 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -3.134 2.238 -2.413 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.173 2.032 -3.318 0.00 0.00 -0.166 F ENDBRANCH 23 28 BRANCH 22 32 ATOM 32 C LIG 1 -4.435 -0.477 -1.789 0.00 0.00 +0.120 C BRANCH 32 36 ATOM 33 N LIG 1 -7.194 0.723 1.309 0.00 0.00 -0.300 NA ATOM 34 C LIG 1 -7.696 0.397 -0.040 0.00 0.00 +0.100 C ATOM 35 C LIG 1 -6.709 -0.386 -0.947 0.00 0.00 +0.100 C ATOM 36 N LIG 1 -5.282 -0.172 -0.630 0.00 0.00 -0.296 NA ATOM 37 C LIG 1 -5.086 1.191 -0.114 0.00 0.00 +0.100 C ATOM 38 C LIG 1 -5.914 1.462 1.175 0.00 0.00 +0.100 C BRANCH 33 40 ATOM 39 C LIG 1 -7.003 -0.180 3.609 0.00 0.00 +0.020 C ATOM 40 C LIG 1 -7.041 -0.498 2.117 0.00 0.00 +0.081 C ENDBRANCH 33 40 ENDBRANCH 32 36 ENDBRANCH 22 32 ENDBRANCH 1 25 TORSDOF 6