REMARK Name = BDB007986 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.069 0.272 2.930 0.00 0.00 -0.294 NA ATOM 2 C LIG 1 0.059 0.305 3.862 0.00 0.00 +0.085 C ATOM 3 C LIG 1 1.372 0.411 3.088 0.00 0.00 +0.027 C ATOM 4 C LIG 1 1.418 1.618 2.139 0.00 0.00 +0.063 C ATOM 5 C LIG 1 0.088 2.386 2.139 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -1.137 1.468 2.067 0.00 0.00 +0.085 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 1.814 1.179 0.723 0.00 0.00 +0.166 C ATOM 8 O LIG 1 0.987 1.091 -0.187 0.00 0.00 -0.292 OA BRANCH 7 9 ATOM 9 C LIG 1 3.242 0.830 0.429 0.00 0.00 +0.018 A ATOM 10 C LIG 1 3.570 0.422 -0.871 0.00 0.00 +0.015 A ATOM 11 C LIG 1 4.886 0.061 -1.206 0.00 0.00 +0.046 A ATOM 12 C LIG 1 5.891 0.112 -0.242 0.00 0.00 +0.121 A ATOM 13 C LIG 1 5.566 0.519 1.054 0.00 0.00 +0.046 A ATOM 14 C LIG 1 4.255 0.882 1.392 0.00 0.00 +0.015 A BRANCH 12 15 ATOM 15 O LIG 1 7.200 -0.222 -0.417 0.00 0.00 -0.492 OA BRANCH 15 16 ATOM 16 C LIG 1 7.691 -0.438 -1.742 0.00 0.00 +0.232 C BRANCH 16 17 ATOM 17 C LIG 1 7.620 -1.896 -2.088 0.00 0.00 +0.027 C ATOM 18 C LIG 1 8.636 -2.861 -1.532 0.00 0.00 +0.007 C ATOM 19 C LIG 1 8.653 -2.510 -2.994 0.00 0.00 +0.007 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 C LIG 1 -2.339 0.046 3.660 0.00 0.00 +0.180 C BRANCH 20 22 ATOM 21 O LIG 1 -4.645 -0.371 3.032 0.00 0.00 -0.274 OA ATOM 22 C LIG 1 -3.455 -0.459 2.736 0.00 0.00 +0.227 C ATOM 23 N LIG 1 -3.012 -1.070 1.582 0.00 0.00 -0.307 N ATOM 24 H LIG 1 -2.007 -1.181 1.513 0.00 0.00 +0.149 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.902 -1.813 0.710 0.00 0.00 +0.178 C BRANCH 25 26 ATOM 26 C LIG 1 -4.734 -0.903 -0.187 0.00 0.00 +0.127 A ATOM 27 N LIG 1 -4.156 0.285 -0.541 0.00 0.00 -0.309 N ATOM 28 H LIG 1 -3.262 0.541 -0.149 0.00 0.00 +0.170 HD ATOM 29 C LIG 1 -4.773 1.194 -1.346 0.00 0.00 +0.257 A ATOM 30 O LIG 1 -4.258 2.264 -1.653 0.00 0.00 -0.267 OA ATOM 31 C LIG 1 -6.103 0.782 -1.838 0.00 0.00 +0.064 A ATOM 32 C LIG 1 -6.845 1.719 -2.734 0.00 0.00 +0.202 C ATOM 33 O LIG 1 -8.207 1.306 -2.957 0.00 0.00 -0.375 OA ATOM 34 C LIG 1 -8.305 -0.095 -3.226 0.00 0.00 +0.166 C ATOM 35 C LIG 1 -7.894 -0.898 -1.993 0.00 0.00 +0.084 C ATOM 36 C LIG 1 -6.563 -0.425 -1.465 0.00 0.00 +0.056 A ATOM 37 N LIG 1 -5.886 -1.293 -0.640 0.00 0.00 -0.237 NA ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 9