REMARK Name = BDB057507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.290 0.108 0.623 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.618 0.037 -0.031 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -3.686 0.736 -0.789 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -6.023 0.465 0.119 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -4.802 0.084 0.728 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -4.868 -0.382 2.049 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -6.071 -0.386 2.765 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -7.247 0.056 2.168 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -7.226 0.481 0.844 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 -5.150 1.661 -1.704 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -6.037 0.911 -1.301 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 -7.096 0.459 -2.240 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -7.694 -0.802 -2.123 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -8.679 -1.193 -3.033 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -9.061 -0.333 -4.063 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -8.453 0.916 -4.194 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -7.468 1.310 -3.288 0.00 0.00 +0.012 A ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -2.066 1.481 1.263 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -1.910 2.546 0.685 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 -2.070 1.443 2.615 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 -1.957 2.383 2.869 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 -1.207 -0.135 -0.447 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 0.177 -0.312 0.136 0.00 0.00 -0.045 A ATOM 24 C LIG 1 0.562 -1.537 0.692 0.00 0.00 +0.007 A ATOM 25 C LIG 1 1.835 -1.688 1.247 0.00 0.00 +0.046 A ATOM 26 C LIG 1 2.741 -0.625 1.255 0.00 0.00 +0.121 A ATOM 27 C LIG 1 2.360 0.598 0.704 0.00 0.00 +0.046 A ATOM 28 C LIG 1 1.086 0.753 0.148 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 3.948 -0.909 1.831 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 4.950 0.109 1.779 0.00 0.00 +0.234 C BRANCH 30 31 ATOM 31 C LIG 1 6.239 -0.432 2.402 0.00 0.00 +0.085 C BRANCH 31 32 ATOM 32 C LIG 1 6.927 -1.429 1.513 0.00 0.00 +0.020 A ATOM 33 C LIG 1 7.658 -1.254 0.346 0.00 0.00 +0.081 A ATOM 34 N LIG 1 8.101 -2.418 -0.261 0.00 0.00 -0.247 NA ATOM 35 C LIG 1 7.739 -3.453 0.461 0.00 0.00 +0.156 A ATOM 36 S LIG 1 6.847 -3.111 1.880 0.00 0.00 -0.080 S BRANCH 33 37 ATOM 37 C LIG 1 7.923 0.034 -0.272 0.00 0.00 +0.001 A ATOM 38 C LIG 1 7.460 0.281 -1.570 0.00 0.00 +0.010 A ATOM 39 C LIG 1 7.694 1.516 -2.178 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.401 2.506 -1.496 0.00 0.00 +0.000 A ATOM 41 C LIG 1 8.881 2.260 -0.210 0.00 0.00 +0.001 A ATOM 42 C LIG 1 8.647 1.026 0.400 0.00 0.00 +0.010 A ENDBRANCH 33 37 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 13