REMARK Name = BDB001748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.851 -0.803 -0.484 0.00 0.00 +0.250 C ATOM 2 N LIG 1 -1.615 -0.569 0.148 0.00 0.00 -0.167 N ATOM 3 C LIG 1 -1.278 -0.265 1.467 0.00 0.00 +0.219 A ATOM 4 N LIG 1 -0.001 0.009 1.543 0.00 0.00 -0.193 NA ATOM 5 C LIG 1 0.468 -0.208 0.272 0.00 0.00 +0.184 A ATOM 6 N LIG 1 -0.471 -0.600 -0.595 0.00 0.00 -0.141 NA ATOM 7 O LIG 1 -2.882 -1.188 -1.650 0.00 0.00 -0.271 OA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 1.876 -0.036 -0.077 0.00 0.00 +0.021 A ATOM 9 C LIG 1 2.335 -0.287 -1.376 0.00 0.00 +0.015 A ATOM 10 C LIG 1 3.686 -0.119 -1.697 0.00 0.00 +0.046 A ATOM 11 C LIG 1 4.601 0.302 -0.731 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.154 0.555 0.566 0.00 0.00 +0.046 A ATOM 13 C LIG 1 2.800 0.386 0.889 0.00 0.00 +0.015 A BRANCH 11 14 ATOM 14 O LIG 1 5.888 0.426 -1.177 0.00 0.00 -0.495 OA ATOM 15 C LIG 1 6.858 0.858 -0.231 0.00 0.00 +0.277 C ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 3 16 ATOM 16 N LIG 1 -2.111 -0.261 2.535 0.00 0.00 -0.327 N ATOM 17 H LIG 1 -1.612 -0.051 3.400 0.00 0.00 +0.145 HD ATOM 18 H LIG 1 -2.669 -1.097 2.690 0.00 0.00 +0.145 HD ENDBRANCH 3 16 BRANCH 1 19 ATOM 19 C LIG 1 -4.080 -0.555 0.360 0.00 0.00 +0.100 C BRANCH 19 21 ATOM 20 C LIG 1 -5.537 0.675 -1.321 0.00 0.00 +0.004 C ATOM 21 C LIG 1 -5.376 -0.568 -0.457 0.00 0.00 +0.006 C ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 5