REMARK Name = BDB013873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.304 0.060 0.574 0.00 0.00 +0.112 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -0.552 -2.135 -0.398 0.00 0.00 +0.018 C ATOM 3 C LIG 1 -0.844 -0.623 -0.249 0.00 0.00 +0.009 C ATOM 4 C LIG 1 -2.190 -0.465 0.494 0.00 0.00 -0.037 A ATOM 5 C LIG 1 -3.345 0.020 -0.155 0.00 0.00 -0.044 A ATOM 6 C LIG 1 -4.545 0.168 0.565 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -4.625 -0.195 1.906 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -3.507 -0.713 2.545 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -3.343 0.427 -1.606 0.00 0.00 +0.035 C ATOM 10 C LIG 1 -2.208 -0.216 -2.384 0.00 0.00 +0.006 C ATOM 11 C LIG 1 -2.306 -0.850 1.846 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -0.893 0.030 -1.661 0.00 0.00 +0.013 C ENDBRANCH 1 3 BRANCH 1 13 ATOM 13 N LIG 1 1.621 -0.074 -0.064 0.00 0.00 -0.341 N ATOM 14 H LIG 1 1.590 0.132 -1.071 0.00 0.00 +0.146 HD BRANCH 13 15 ATOM 15 C LIG 1 2.731 0.569 0.511 0.00 0.00 +0.060 A ATOM 16 C LIG 1 3.903 0.800 -0.233 0.00 0.00 +0.082 A ATOM 17 C LIG 1 5.034 1.395 0.341 0.00 0.00 +0.036 A ATOM 18 C LIG 1 4.989 1.698 1.685 0.00 0.00 +0.111 A ATOM 19 N LIG 1 3.923 1.440 2.463 0.00 0.00 -0.261 NA ATOM 20 C LIG 1 2.837 0.881 1.866 0.00 0.00 +0.134 A BRANCH 16 21 ATOM 21 C LIG 1 3.937 0.468 -1.674 0.00 0.00 +0.339 C ATOM 22 O LIG 1 3.034 0.751 -2.443 0.00 0.00 -0.245 OA BRANCH 21 23 ATOM 23 O LIG 1 5.052 -0.202 -2.035 0.00 0.00 -0.477 OA ATOM 24 H LIG 1 5.575 -0.542 -1.284 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 16 21 ENDBRANCH 13 15 ENDBRANCH 1 13 TORSDOF 5