REMARK Name = BDB064015 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.208 0.044 -0.018 0.00 0.00 +0.193 C ATOM 2 N LIG 1 -1.670 -1.168 -0.411 0.00 0.00 -0.253 N ATOM 3 H LIG 1 -2.651 -1.369 -0.547 0.00 0.00 +0.158 HD ATOM 4 C LIG 1 -0.632 -2.017 -0.593 0.00 0.00 +0.269 C ATOM 5 O LIG 1 -0.637 -3.178 -0.948 0.00 0.00 -0.268 OA ATOM 6 C LIG 1 0.533 -1.153 -0.249 0.00 0.00 +0.130 C ATOM 7 C LIG 1 1.791 -1.608 -0.313 0.00 0.00 +0.041 C ATOM 8 N LIG 1 0.089 0.107 0.097 0.00 0.00 -0.213 NA ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 3.014 -0.847 -0.014 0.00 0.00 -0.022 A ATOM 10 C LIG 1 4.161 -1.107 -0.782 0.00 0.00 +0.025 A ATOM 11 C LIG 1 5.348 -0.412 -0.488 0.00 0.00 +0.039 A ATOM 12 C LIG 1 5.423 0.518 0.551 0.00 0.00 +0.078 A ATOM 13 N LIG 1 6.658 1.122 0.721 0.00 0.00 -0.247 NA ATOM 14 C LIG 1 7.499 0.657 -0.174 0.00 0.00 +0.157 A ATOM 15 C LIG 1 4.272 0.757 1.324 0.00 0.00 +0.029 A ATOM 16 S LIG 1 6.886 -0.515 -1.260 0.00 0.00 -0.075 S ATOM 17 C LIG 1 3.084 0.070 1.038 0.00 0.00 +0.010 A ENDBRANCH 7 9 BRANCH 1 18 ATOM 18 N LIG 1 -2.029 1.101 0.234 0.00 0.00 -0.270 N ATOM 19 H LIG 1 -1.546 1.945 0.510 0.00 0.00 +0.156 HD BRANCH 18 23 ATOM 20 C LIG 1 -6.481 -0.399 -0.548 0.00 0.00 +0.172 C ATOM 21 N LIG 1 -5.387 0.480 -0.208 0.00 0.00 -0.273 N ATOM 22 N LIG 1 -4.126 0.014 -0.245 0.00 0.00 -0.156 NA ATOM 23 C LIG 1 -3.372 1.060 0.117 0.00 0.00 +0.147 A ATOM 24 C LIG 1 -4.177 2.194 0.383 0.00 0.00 +0.065 A ATOM 25 C LIG 1 -5.472 1.787 0.164 0.00 0.00 +0.110 A ENDBRANCH 18 23 ENDBRANCH 1 18 TORSDOF 3