REMARK Name = BDB004734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.181 -1.759 2.374 0.00 0.00 +0.116 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.306 -1.817 2.013 0.00 0.00 -0.024 A ATOM 3 C LIG 1 0.725 -1.693 0.669 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.068 -1.783 0.295 0.00 0.00 +0.034 A ATOM 5 C LIG 1 3.023 -2.036 1.280 0.00 0.00 +0.023 A ATOM 6 C LIG 1 2.636 -2.206 2.608 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.290 -2.110 2.967 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 2.526 -1.642 -1.032 0.00 0.00 -0.281 N ATOM 9 H LIG 1 3.529 -1.692 -1.154 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 1.772 -1.355 -2.156 0.00 0.00 +0.248 C ATOM 11 O LIG 1 0.567 -1.136 -2.203 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 2.547 -1.281 -3.425 0.00 0.00 +0.037 A ATOM 13 C LIG 1 2.183 -0.318 -4.374 0.00 0.00 +0.013 A ATOM 14 C LIG 1 2.885 -0.219 -5.575 0.00 0.00 +0.001 A ATOM 15 C LIG 1 3.943 -1.088 -5.837 0.00 0.00 +0.000 A ATOM 16 C LIG 1 4.299 -2.061 -4.903 0.00 0.00 +0.001 A ATOM 17 C LIG 1 3.601 -2.163 -3.698 0.00 0.00 +0.013 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 N LIG 1 -2.021 -0.948 1.456 0.00 0.00 -0.320 N ATOM 19 H LIG 1 -2.066 -1.405 0.550 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 -1.776 0.418 1.246 0.00 0.00 +0.130 A ATOM 21 C LIG 1 -2.543 1.128 0.295 0.00 0.00 +0.041 A ATOM 22 C LIG 1 -2.226 2.489 0.112 0.00 0.00 +0.088 A ATOM 23 C LIG 1 -2.967 3.210 -0.848 0.00 0.00 +0.063 A ATOM 24 C LIG 1 -3.996 2.600 -1.591 0.00 0.00 +0.015 A ATOM 25 C LIG 1 -4.312 1.267 -1.393 0.00 0.00 +0.002 A ATOM 26 N LIG 1 -1.243 3.065 0.839 0.00 0.00 -0.235 NA ATOM 27 C LIG 1 -0.608 2.309 1.739 0.00 0.00 +0.223 A ATOM 28 C LIG 1 -3.593 0.538 -0.456 0.00 0.00 +0.013 A ATOM 29 N LIG 1 -0.843 1.024 1.991 0.00 0.00 -0.220 NA BRANCH 23 30 ATOM 30 C LIG 1 -2.727 4.657 -1.152 0.00 0.00 +0.244 C ATOM 31 O LIG 1 -3.375 5.254 -2.006 0.00 0.00 -0.270 OA ATOM 32 N LIG 1 -1.763 5.319 -0.453 0.00 0.00 -0.325 N ATOM 33 H LIG 1 -1.202 4.837 0.244 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 -1.574 6.285 -0.673 0.00 0.00 +0.145 HD ENDBRANCH 23 30 ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 35 ATOM 35 C LIG 1 -1.618 -1.572 3.874 0.00 0.00 +0.107 C BRANCH 35 37 ATOM 36 C LIG 1 -0.303 0.054 5.142 0.00 0.00 +0.101 C ATOM 37 N LIG 1 -1.569 -0.237 4.494 0.00 0.00 -0.317 NA ATOM 38 H LIG 1 -1.698 0.442 3.734 0.00 0.00 +0.122 HD ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 8