REMARK Name = BDB035382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.237 0.883 -0.407 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.967 1.593 -0.355 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.334 2.605 -0.928 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.833 0.900 0.603 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.130 1.205 0.972 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.750 0.394 1.933 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.046 -0.708 2.475 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.728 -1.014 2.079 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.137 -0.181 1.130 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.219 -0.252 0.506 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.666 0.626 -1.977 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.519 0.384 -1.180 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.356 1.179 -1.234 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.347 2.253 -2.125 0.00 0.00 +0.023 A ATOM 15 C LIG 1 2.452 2.525 -2.932 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.586 1.721 -2.858 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 5.844 -2.234 -2.317 0.00 0.00 +0.120 C ATOM 18 C LIG 1 4.968 -1.657 -1.180 0.00 0.00 +0.051 C ATOM 19 C LIG 1 4.997 -0.270 -1.905 0.00 0.00 +0.060 C ATOM 20 C LIG 1 5.320 -1.087 -3.205 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 6.226 0.611 -1.403 0.00 0.00 +0.144 A ATOM 22 N LIG 1 6.298 1.392 -0.282 0.00 0.00 -0.320 N ATOM 23 C LIG 1 5.287 1.615 0.714 0.00 0.00 +0.151 C ATOM 24 C LIG 1 7.546 1.933 -0.278 0.00 0.00 +0.224 A ATOM 25 N LIG 1 8.213 1.504 -1.322 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 7.383 0.670 -2.030 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 6.106 -4.627 -2.037 0.00 0.00 +0.194 C ATOM 28 O LIG 1 5.500 -3.564 -2.757 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -0.980 -2.188 2.648 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.563 -3.049 1.679 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.702 -2.929 3.529 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.148 -1.803 3.306 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.180 0.668 2.345 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -6.103 -0.263 1.693 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -5.601 -0.826 1.007 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.291 0.406 1.141 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -8.145 1.040 2.276 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -9.374 0.343 1.653 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -8.402 -0.684 1.034 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -7.025 1.194 -0.131 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8