REMARK Name = BDB060675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.820 -1.419 -1.058 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -1.983 -0.704 -0.646 0.00 0.00 +0.117 A ATOM 3 C LIG 1 -3.069 -1.381 -1.182 0.00 0.00 +0.154 A ATOM 4 C LIG 1 -4.378 -0.972 -0.985 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -4.524 0.176 -0.203 0.00 0.00 +0.032 A ATOM 6 C LIG 1 -3.397 0.824 0.316 0.00 0.00 +0.075 A ATOM 7 O LIG 1 -2.654 -2.458 -1.898 0.00 0.00 -0.461 OA ATOM 8 N LIG 1 -2.119 0.412 0.114 0.00 0.00 -0.243 NA ATOM 9 C LIG 1 -1.295 -2.471 -1.822 0.00 0.00 +0.206 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 3.340 -0.641 -0.327 0.00 0.00 -0.023 A ATOM 11 C LIG 1 2.406 0.403 -0.383 0.00 0.00 +0.009 A ATOM 12 C LIG 1 1.050 0.145 -0.620 0.00 0.00 +0.009 A ATOM 13 C LIG 1 0.591 -1.164 -0.808 0.00 0.00 -0.013 A ATOM 14 C LIG 1 1.521 -2.209 -0.743 0.00 0.00 +0.009 A ATOM 15 C LIG 1 2.877 -1.950 -0.503 0.00 0.00 +0.009 A BRANCH 10 17 ATOM 16 C LIG 1 5.412 0.620 -0.703 0.00 0.00 +0.012 C ATOM 17 C LIG 1 4.769 -0.368 -0.059 0.00 0.00 -0.050 C ATOM 18 C LIG 1 5.471 -1.242 0.944 0.00 0.00 +0.044 C ENDBRANCH 10 17 ENDBRANCH 1 13 BRANCH 6 19 ATOM 19 C LIG 1 -3.542 2.021 1.134 0.00 0.00 +0.038 A ATOM 20 C LIG 1 -2.499 2.677 1.757 0.00 0.00 +0.115 A ATOM 21 N LIG 1 -3.043 3.736 2.420 0.00 0.00 -0.284 N ATOM 22 H LIG 1 -2.569 4.432 2.986 0.00 0.00 +0.188 HD ATOM 23 N LIG 1 -4.375 3.827 2.276 0.00 0.00 -0.182 NA ATOM 24 C LIG 1 -4.676 2.785 1.495 0.00 0.00 +0.144 A ENDBRANCH 6 19 TORSDOF 3