REMARK Name = BDB010268 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.312 2.106 -0.151 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -0.596 1.458 0.779 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -1.329 0.450 1.597 0.00 0.00 +0.265 A ATOM 4 O LIG 1 -0.820 0.116 2.669 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 -2.568 0.044 1.121 0.00 0.00 -0.232 N ATOM 6 C LIG 1 -3.202 0.809 0.163 0.00 0.00 +0.122 A ATOM 7 N LIG 1 -2.615 1.807 -0.428 0.00 0.00 -0.237 NA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -3.154 -1.074 1.784 0.00 0.00 +0.239 A ATOM 9 N LIG 1 -4.488 -1.188 1.873 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 -4.995 -2.268 2.513 0.00 0.00 +0.161 A ATOM 11 C LIG 1 -4.237 -3.268 3.071 0.00 0.00 +0.156 A ATOM 12 C LIG 1 -2.886 -3.086 2.916 0.00 0.00 +0.161 A ATOM 13 N LIG 1 -2.338 -2.026 2.280 0.00 0.00 -0.216 NA BRANCH 11 14 ATOM 14 O LIG 1 -4.887 -4.288 3.685 0.00 0.00 -0.492 OA ATOM 15 C LIG 1 -4.070 -5.287 4.289 0.00 0.00 +0.277 C ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 6 16 ATOM 16 C LIG 1 -4.618 0.486 -0.369 0.00 0.00 +0.050 C ATOM 17 C LIG 1 -4.569 -0.743 -1.280 0.00 0.00 +0.015 C ATOM 18 C LIG 1 -5.235 1.657 -1.149 0.00 0.00 +0.015 C ENDBRANCH 6 16 BRANCH 1 19 ATOM 19 C LIG 1 -0.755 3.207 -1.036 0.00 0.00 +0.056 C BRANCH 19 20 ATOM 20 C LIG 1 -1.132 4.594 -0.507 0.00 0.00 +0.006 C BRANCH 20 22 ATOM 21 C LIG 1 -1.011 5.821 -2.741 0.00 0.00 +0.004 C ATOM 22 C LIG 1 -0.506 5.737 -1.310 0.00 0.00 -0.003 C ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 1 19 BRANCH 2 23 ATOM 23 C LIG 1 0.842 1.711 1.155 0.00 0.00 +0.079 C BRANCH 23 24 ATOM 24 C LIG 1 1.784 0.651 0.640 0.00 0.00 -0.025 A ATOM 25 C LIG 1 2.337 0.726 -0.633 0.00 0.00 +0.115 A ATOM 26 N LIG 1 3.184 -0.196 -1.157 0.00 0.00 -0.255 NA ATOM 27 C LIG 1 3.479 -1.277 -0.389 0.00 0.00 +0.072 A ATOM 28 C LIG 1 2.968 -1.438 0.895 0.00 0.00 +0.028 A ATOM 29 C LIG 1 2.118 -0.464 1.411 0.00 0.00 +0.007 A BRANCH 27 30 ATOM 30 C LIG 1 4.351 -2.287 -1.005 0.00 0.00 +0.011 A ATOM 31 C LIG 1 5.720 -2.085 -1.289 0.00 0.00 +0.030 A ATOM 32 C LIG 1 6.495 -3.140 -1.806 0.00 0.00 +0.012 A ATOM 33 C LIG 1 5.923 -4.383 -2.074 0.00 0.00 +0.001 A ATOM 34 C LIG 1 4.573 -4.589 -1.822 0.00 0.00 +0.001 A ATOM 35 C LIG 1 3.799 -3.555 -1.292 0.00 0.00 +0.011 A BRANCH 31 36 ATOM 36 C LIG 1 6.439 -0.817 -1.059 0.00 0.00 +0.183 A ATOM 37 N LIG 1 5.834 0.365 -1.197 0.00 0.00 -0.271 N ATOM 38 H LIG 1 4.864 0.537 -1.426 0.00 0.00 +0.174 HD ATOM 39 C LIG 1 6.742 1.311 -0.928 0.00 0.00 +0.440 A ATOM 40 O LIG 1 6.551 2.517 -0.926 0.00 0.00 -0.221 OA ATOM 41 O LIG 1 7.936 0.692 -0.648 0.00 0.00 -0.295 OA ATOM 42 N LIG 1 7.691 -0.716 -0.751 0.00 0.00 -0.054 NA ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 10