REMARK Name = BDB005142 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.830 -0.771 -0.523 0.00 0.00 +0.103 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.001 0.156 1.883 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.296 -0.185 0.726 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -1.097 -0.381 0.755 0.00 0.00 -0.025 A ATOM 5 C LIG 1 -1.778 -0.216 1.970 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -1.085 0.132 3.126 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.298 0.318 3.082 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 3.304 0.146 0.899 0.00 0.00 +0.248 C ATOM 9 N LIG 1 2.396 0.367 1.919 0.00 0.00 -0.281 N ATOM 10 H LIG 1 2.773 0.632 2.820 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 3.076 -0.352 -0.197 0.00 0.00 -0.270 OA BRANCH 8 15 ATOM 12 C LIG 1 7.380 1.189 1.778 0.00 0.00 +0.120 A ATOM 13 C LIG 1 7.074 0.060 1.012 0.00 0.00 +0.046 A ATOM 14 C LIG 1 5.746 -0.270 0.728 0.00 0.00 +0.016 A ATOM 15 C LIG 1 4.708 0.524 1.223 0.00 0.00 +0.037 A ATOM 16 C LIG 1 5.009 1.665 1.978 0.00 0.00 +0.016 A ATOM 17 C LIG 1 6.343 1.993 2.256 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 9.087 2.538 2.740 0.00 0.00 +0.277 C ATOM 19 O LIG 1 8.717 1.395 1.979 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 8 15 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 N LIG 1 -2.938 0.171 -0.768 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -3.658 -0.240 -1.355 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.591 1.419 -1.335 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -3.583 2.412 -1.473 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -3.185 3.624 -2.070 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -4.167 4.626 -2.225 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -5.495 4.426 -1.800 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -5.870 3.235 -1.199 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -1.907 3.800 -2.475 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -1.045 2.797 -2.278 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -4.920 2.237 -1.034 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -1.328 1.616 -1.737 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -3.884 5.957 -2.847 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -4.785 6.740 -3.131 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -2.586 6.293 -3.101 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -1.856 5.588 -3.031 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -2.408 7.132 -3.634 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 -2.411 -2.202 -0.434 0.00 0.00 +0.042 C BRANCH 37 38 ATOM 38 C LIG 1 -1.312 -3.270 -0.332 0.00 0.00 +0.086 C BRANCH 38 39 ATOM 39 N LIG 1 -1.862 -4.632 -0.293 0.00 0.00 -0.302 NA ATOM 40 C LIG 1 -0.814 -5.622 -0.019 0.00 0.00 +0.084 C ATOM 41 C LIG 1 -1.458 -6.944 -0.412 0.00 0.00 +0.017 C ATOM 42 C LIG 1 -2.570 -6.572 -1.385 0.00 0.00 +0.017 C ATOM 43 C LIG 1 -2.457 -5.065 -1.559 0.00 0.00 +0.084 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 10