REMARK Name = BDB027840 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.199 -1.102 0.101 0.00 0.00 +0.041 A ATOM 2 C LIG 1 0.499 -2.245 -0.376 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.899 -2.167 -0.482 0.00 0.00 +0.091 A ATOM 4 C LIG 1 2.547 -3.299 -0.956 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.960 -4.472 -1.311 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 0.625 -4.526 -1.173 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.604 -1.071 -0.142 0.00 0.00 -0.245 NA ATOM 8 C LIG 1 1.943 0.008 0.333 0.00 0.00 +0.074 A ATOM 9 C LIG 1 -0.133 -3.462 -0.716 0.00 0.00 +0.031 A ATOM 10 C LIG 1 0.557 0.014 0.473 0.00 0.00 +0.052 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -3.898 2.435 -0.655 0.00 0.00 +0.105 C ATOM 12 N LIG 1 -3.527 1.058 -0.337 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 -2.785 0.993 0.939 0.00 0.00 +0.103 C ATOM 14 C LIG 1 -2.294 -0.431 1.296 0.00 0.00 +0.120 C ATOM 15 N LIG 1 -1.599 -1.111 0.183 0.00 0.00 -0.327 N ATOM 16 C LIG 1 -2.306 -0.989 -1.114 0.00 0.00 +0.120 C ATOM 17 C LIG 1 -2.704 0.473 -1.415 0.00 0.00 +0.103 C ENDBRANCH 1 15 BRANCH 8 18 ATOM 18 C LIG 1 2.791 1.164 0.689 0.00 0.00 +0.003 A ATOM 19 C LIG 1 4.087 0.972 1.188 0.00 0.00 +0.030 A ATOM 20 C LIG 1 4.862 2.072 1.519 0.00 0.00 +0.111 A ATOM 21 N LIG 1 4.445 3.348 1.387 0.00 0.00 -0.263 NA ATOM 22 C LIG 1 3.205 3.527 0.893 0.00 0.00 +0.111 A ATOM 23 C LIG 1 2.357 2.488 0.536 0.00 0.00 +0.030 A ENDBRANCH 8 18 TORSDOF 2