REMARK Name = BDB004890 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.103 1.151 -0.700 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.890 1.102 0.004 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.248 1.782 -0.461 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -0.161 2.509 -1.655 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.038 2.558 -2.362 0.00 0.00 +0.002 A ATOM 6 C LIG 1 2.165 1.882 -1.887 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 4.492 0.404 -0.631 0.00 0.00 +0.248 C ATOM 8 N LIG 1 3.193 0.435 -0.157 0.00 0.00 -0.281 N ATOM 9 H LIG 1 3.009 -0.042 0.715 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 4.953 1.038 -1.571 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 C LIG 1 7.573 -0.896 1.028 0.00 0.00 +0.215 A ATOM 12 N LIG 1 7.195 -2.089 1.536 0.00 0.00 -0.221 NA ATOM 13 C LIG 1 5.922 -2.478 1.313 0.00 0.00 +0.115 A ATOM 14 C LIG 1 4.996 -1.718 0.622 0.00 0.00 +0.033 A ATOM 15 C LIG 1 5.412 -0.480 0.131 0.00 0.00 +0.043 A ATOM 16 C LIG 1 6.728 -0.063 0.321 0.00 0.00 +0.080 A BRANCH 11 18 ATOM 17 C LIG 1 9.685 -1.369 1.918 0.00 0.00 +0.279 C ATOM 18 O LIG 1 8.864 -0.445 1.212 0.00 0.00 -0.480 OA ENDBRANCH 11 18 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 19 ATOM 19 C LIG 1 -1.554 1.720 0.298 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 N LIG 1 -2.503 0.923 -0.469 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -2.103 0.026 -0.728 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.755 0.718 0.147 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -4.742 -0.035 -0.523 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -5.964 -0.217 0.152 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -6.959 -0.982 -0.494 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -6.744 -1.532 -1.773 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -5.545 -1.331 -2.437 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -6.157 0.332 1.373 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -5.162 1.054 1.901 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -4.552 -0.585 -1.816 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -3.971 1.273 1.349 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -8.299 -1.266 0.111 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -9.137 -1.944 -0.475 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -8.579 -0.754 1.342 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -7.902 -0.179 1.835 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -9.486 -0.929 1.751 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 7