REMARK Name = BDB060293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.700 -0.427 -0.962 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -0.790 -0.863 0.360 0.00 0.00 -0.163 N ATOM 3 C LIG 1 0.163 -1.385 1.253 0.00 0.00 +0.274 C ATOM 4 O LIG 1 -0.189 -1.981 2.268 0.00 0.00 -0.266 OA ATOM 5 N LIG 1 -2.088 -0.749 0.771 0.00 0.00 -0.139 NA ATOM 6 C LIG 1 -2.690 -0.154 -0.270 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.853 0.057 -1.342 0.00 0.00 -0.192 NA ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 -4.111 0.226 -0.286 0.00 0.00 +0.110 A ATOM 9 N LIG 1 -4.581 0.823 -1.414 0.00 0.00 -0.252 NA ATOM 10 C LIG 1 -5.885 1.175 -1.435 0.00 0.00 +0.111 A ATOM 11 C LIG 1 -6.758 0.964 -0.382 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -6.268 0.354 0.766 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -4.927 -0.021 0.818 0.00 0.00 +0.031 A ENDBRANCH 6 8 BRANCH 1 14 ATOM 14 N LIG 1 0.378 -0.511 -1.773 0.00 0.00 -0.327 N ATOM 15 H LIG 1 1.026 -1.288 -1.685 0.00 0.00 +0.145 HD ATOM 16 H LIG 1 0.166 -0.316 -2.751 0.00 0.00 +0.145 HD ENDBRANCH 1 14 BRANCH 3 17 ATOM 17 C LIG 1 1.601 -1.231 0.940 0.00 0.00 +0.073 C ATOM 18 C LIG 1 2.162 -0.044 0.659 0.00 0.00 +0.013 C BRANCH 18 19 ATOM 19 C LIG 1 3.597 0.121 0.397 0.00 0.00 -0.025 A ATOM 20 C LIG 1 3.998 0.971 -0.642 0.00 0.00 +0.008 A ATOM 21 C LIG 1 5.354 1.171 -0.911 0.00 0.00 +0.001 A ATOM 22 C LIG 1 6.320 0.532 -0.137 0.00 0.00 +0.000 A ATOM 23 C LIG 1 5.932 -0.302 0.909 0.00 0.00 +0.001 A ATOM 24 C LIG 1 4.576 -0.504 1.179 0.00 0.00 +0.008 A ENDBRANCH 18 19 ENDBRANCH 3 17 TORSDOF 4