REMARK Name = BDB018874 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.992 1.330 0.702 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -0.295 1.000 0.244 0.00 0.00 +0.037 A ATOM 3 C LIG 1 -0.587 -0.322 -0.048 0.00 0.00 +0.041 A ATOM 4 N LIG 1 -1.774 -0.922 -0.517 0.00 0.00 -0.269 N ATOM 5 C LIG 1 -1.587 -2.381 -0.514 0.00 0.00 +0.118 C ATOM 6 C LIG 1 -0.106 -2.657 -0.283 0.00 0.00 +0.057 C ATOM 7 C LIG 1 -3.005 -0.428 -0.914 0.00 0.00 +0.241 C ATOM 8 O LIG 1 -3.935 -1.213 -1.148 0.00 0.00 -0.273 OA ATOM 9 C LIG 1 0.398 -1.308 0.132 0.00 0.00 -0.017 A ATOM 10 C LIG 1 1.686 -0.992 0.567 0.00 0.00 -0.010 A ATOM 11 C LIG 1 1.980 0.344 0.844 0.00 0.00 +0.022 A ENDROOT BRANCH 10 12 ATOM 12 C LIG 1 2.723 -1.995 0.710 0.00 0.00 +0.009 A ATOM 13 C LIG 1 3.968 -2.114 0.022 0.00 0.00 +0.026 A ATOM 14 C LIG 1 4.611 -3.230 0.547 0.00 0.00 +0.139 A ATOM 15 N LIG 1 5.811 -3.728 0.197 0.00 0.00 -0.237 NA ATOM 16 C LIG 1 6.409 -3.011 -0.782 0.00 0.00 +0.113 A ATOM 17 C LIG 1 5.886 -1.879 -1.395 0.00 0.00 +0.020 A ATOM 18 N LIG 1 3.809 -3.764 1.517 0.00 0.00 -0.345 N ATOM 19 H LIG 1 4.059 -4.579 2.057 0.00 0.00 +0.167 HD ATOM 20 C LIG 1 4.635 -1.409 -0.994 0.00 0.00 +0.013 A ATOM 21 C LIG 1 2.662 -3.021 1.636 0.00 0.00 +0.093 A ENDBRANCH 10 12 BRANCH 1 25 ATOM 22 C LIG 1 0.650 4.848 2.025 0.00 0.00 +0.128 C ATOM 23 N LIG 1 0.360 3.510 1.573 0.00 0.00 -0.314 N ATOM 24 H LIG 1 -0.439 3.044 1.981 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 1.358 2.736 1.015 0.00 0.00 +0.244 C ATOM 26 O LIG 1 2.496 3.136 0.804 0.00 0.00 -0.270 OA ENDBRANCH 1 25 BRANCH 7 27 ATOM 27 C LIG 1 -3.231 1.080 -1.054 0.00 0.00 +0.170 C ATOM 28 N LIG 1 -4.356 1.422 -1.986 0.00 0.00 -0.258 N ATOM 29 C LIG 1 -5.561 1.772 -1.192 0.00 0.00 +0.117 C ATOM 30 C LIG 1 -5.182 1.510 0.258 0.00 0.00 +0.022 C ATOM 31 C LIG 1 -3.674 1.691 0.276 0.00 0.00 +0.034 C BRANCH 28 32 ATOM 32 C LIG 1 -4.376 1.097 -3.284 0.00 0.00 +0.170 C ATOM 33 N LIG 1 -4.377 0.839 -4.412 0.00 0.00 -0.174 NA ENDBRANCH 28 32 ENDBRANCH 7 27 TORSDOF 4