REMARK Name = BDB041380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.835 1.183 -0.870 0.00 0.00 -0.019 A ATOM 2 C LIG 1 0.242 2.417 -0.500 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -1.040 2.482 0.056 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -1.423 3.834 0.352 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.454 4.749 0.022 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -1.755 1.276 0.254 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -1.206 0.036 -0.106 0.00 0.00 -0.039 A ATOM 8 S LIG 1 0.924 4.003 -0.640 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.076 0.011 -0.661 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 2.228 1.063 -1.459 0.00 0.00 +0.121 C BRANCH 10 19 ATOM 11 C LIG 1 5.872 1.516 -0.309 0.00 0.00 +0.187 C ATOM 12 O LIG 1 6.289 0.263 0.278 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 5.624 -0.871 -0.077 0.00 0.00 +0.144 A ATOM 14 C LIG 1 4.236 -1.019 0.003 0.00 0.00 +0.100 A ATOM 15 N LIG 1 3.590 -2.162 -0.356 0.00 0.00 -0.213 NA ATOM 16 C LIG 1 4.375 -3.176 -0.753 0.00 0.00 +0.213 A ATOM 17 C LIG 1 5.752 -3.146 -0.828 0.00 0.00 +0.070 A ATOM 18 C LIG 1 3.401 0.144 0.486 0.00 0.00 +0.144 C ATOM 19 N LIG 1 3.299 1.267 -0.466 0.00 0.00 -0.289 NA ATOM 20 C LIG 1 6.389 -1.963 -0.473 0.00 0.00 +0.053 A ATOM 21 C LIG 1 4.575 1.524 -1.167 0.00 0.00 +0.129 C BRANCH 11 23 ATOM 22 C LIG 1 7.199 2.764 1.470 0.00 0.00 +0.007 C ATOM 23 C LIG 1 5.848 2.598 0.785 0.00 0.00 +0.042 C ENDBRANCH 11 23 BRANCH 16 24 ATOM 24 O LIG 1 3.695 -4.299 -1.089 0.00 0.00 -0.492 OA ATOM 25 H LIG 1 2.786 -4.003 -0.910 0.00 0.00 +0.294 HD ENDBRANCH 16 24 ENDBRANCH 10 19 ENDBRANCH 1 10 BRANCH 7 26 ATOM 26 C LIG 1 -1.942 -1.278 0.151 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 -3.461 -1.216 -0.109 0.00 0.00 -0.034 A ATOM 28 C LIG 1 -3.963 -1.137 -1.442 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -3.056 -1.116 -2.644 0.00 0.00 +0.046 C ATOM 30 C LIG 1 -5.364 -1.065 -1.616 0.00 0.00 +0.116 A ATOM 31 N LIG 1 -6.094 -0.979 -2.776 0.00 0.00 -0.129 NA ATOM 32 N LIG 1 -7.377 -0.930 -2.457 0.00 0.00 -0.065 NA ATOM 33 N LIG 1 -7.460 -0.978 -1.116 0.00 0.00 -0.247 N ATOM 34 C LIG 1 -8.755 -0.925 -0.492 0.00 0.00 +0.175 C ATOM 35 C LIG 1 -6.225 -1.074 -0.524 0.00 0.00 +0.092 A ATOM 36 C LIG 1 -5.778 -1.161 0.802 0.00 0.00 -0.023 A ATOM 37 C LIG 1 -6.670 -1.161 2.008 0.00 0.00 +0.046 C ATOM 38 C LIG 1 -4.378 -1.223 0.963 0.00 0.00 +0.010 A ENDBRANCH 26 27 BRANCH 26 39 ATOM 39 C LIG 1 -1.467 -1.939 1.464 0.00 0.00 +0.133 C BRANCH 39 40 ATOM 40 C LIG 1 -1.298 -0.993 2.624 0.00 0.00 +0.306 C ATOM 41 O LIG 1 -2.181 -0.412 3.233 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 -0.007 -0.830 2.976 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 -0.034 -0.161 3.692 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 26 39 ENDBRANCH 7 26 TORSDOF 9