REMARK Name = BDB039295 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.583 -1.423 0.565 0.00 0.00 -0.326 N ATOM 2 C LIG 1 2.362 -2.461 -0.470 0.00 0.00 +0.120 C ATOM 3 C LIG 1 1.649 -1.865 -1.710 0.00 0.00 +0.103 C ATOM 4 N LIG 1 0.385 -1.143 -1.427 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 0.640 -0.140 -0.365 0.00 0.00 +0.103 C ATOM 6 C LIG 1 1.348 -0.683 0.900 0.00 0.00 +0.120 C ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 6.283 0.516 0.519 0.00 0.00 +0.125 A ATOM 8 N LIG 1 5.166 1.290 0.539 0.00 0.00 -0.249 NA ATOM 9 C LIG 1 3.981 0.626 0.554 0.00 0.00 +0.134 A ATOM 10 C LIG 1 3.814 -0.764 0.534 0.00 0.00 +0.048 A ATOM 11 C LIG 1 5.010 -1.499 0.529 0.00 0.00 +0.027 A ATOM 12 C LIG 1 6.254 -0.867 0.516 0.00 0.00 +0.035 A BRANCH 7 16 ATOM 13 C LIG 1 8.620 3.484 0.414 0.00 0.00 +0.128 C ATOM 14 N LIG 1 7.486 2.613 0.551 0.00 0.00 -0.313 N ATOM 15 H LIG 1 6.540 2.984 0.501 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 7.597 1.240 0.500 0.00 0.00 +0.262 C ATOM 17 O LIG 1 8.661 0.636 0.433 0.00 0.00 -0.269 OA ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 4 18 ATOM 18 C LIG 1 -0.694 -2.081 -1.081 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 C LIG 1 -2.060 -1.426 -1.031 0.00 0.00 -0.031 A ATOM 20 C LIG 1 -2.859 -1.526 0.119 0.00 0.00 +0.032 A ATOM 21 C LIG 1 -4.119 -0.923 0.154 0.00 0.00 +0.076 A ATOM 22 N LIG 1 -4.904 -1.044 1.300 0.00 0.00 -0.279 N ATOM 23 H LIG 1 -4.611 -1.620 2.078 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 -6.097 -0.377 1.455 0.00 0.00 +0.261 C ATOM 25 C LIG 1 -6.466 0.637 0.275 0.00 0.00 +0.186 C ATOM 26 C LIG 1 -6.310 2.149 0.660 0.00 0.00 +0.058 C ATOM 27 C LIG 1 -7.801 2.175 1.025 0.00 0.00 +0.009 C ATOM 28 O LIG 1 -5.849 0.315 -1.007 0.00 0.00 -0.475 OA ATOM 29 C LIG 1 -7.997 0.943 0.130 0.00 0.00 +0.058 C ATOM 30 O LIG 1 -6.745 -0.570 2.487 0.00 0.00 -0.271 OA ATOM 31 C LIG 1 -4.595 -0.234 -0.961 0.00 0.00 +0.143 A ATOM 32 C LIG 1 -3.821 -0.143 -2.114 0.00 0.00 +0.048 A ATOM 33 C LIG 1 -2.557 -0.733 -2.147 0.00 0.00 +0.008 A ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 4