REMARK Name = BDB015889 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.745 1.766 -0.955 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.893 1.415 0.029 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.241 2.125 0.186 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.517 3.232 -0.618 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.419 3.507 -1.598 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.545 2.795 -1.795 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.385 -0.945 -0.447 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.230 -0.159 -0.299 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.968 0.955 -1.124 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.920 1.258 -2.116 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.074 0.488 -2.276 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.305 -0.607 -1.445 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 5.863 -5.337 1.345 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.271 -4.029 1.205 0.00 0.00 -0.274 N ATOM 15 N LIG 1 4.583 -3.502 2.233 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 4.180 -2.318 1.761 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.611 -2.079 0.434 0.00 0.00 +0.020 A ATOM 18 C LIG 1 5.317 -3.219 0.107 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -1.699 4.062 -0.499 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -2.142 4.652 0.666 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -3.255 5.366 0.333 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -4.074 6.162 1.215 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -3.570 5.285 -0.973 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -2.614 4.503 -1.480 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.122 1.755 1.216 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.086 1.836 0.907 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -0.841 0.524 1.951 0.00 0.00 +0.104 C BRANCH 27 28 ATOM 28 C LIG 1 -1.144 -0.751 1.158 0.00 0.00 +0.034 C BRANCH 28 29 ATOM 29 C LIG 1 -2.634 -0.901 0.825 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 N LIG 1 -2.936 -2.200 0.208 0.00 0.00 -0.298 NA ATOM 31 C LIG 1 -4.382 -2.498 0.294 0.00 0.00 +0.112 C ATOM 32 C LIG 1 -4.803 -3.567 -0.724 0.00 0.00 +0.175 C ATOM 33 O LIG 1 -4.634 -3.134 -2.081 0.00 0.00 -0.377 OA ATOM 34 C LIG 1 -3.585 -2.169 -2.235 0.00 0.00 +0.175 C ATOM 35 C LIG 1 -2.465 -2.313 -1.191 0.00 0.00 +0.112 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8