REMARK Name = BDB038996 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.255 5.548 -0.732 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -2.743 4.254 -0.786 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -1.798 3.178 -0.517 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -2.420 1.817 -0.338 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.811 1.606 -0.489 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -4.367 0.333 -0.302 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -3.573 -0.774 0.010 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -2.196 -0.559 0.140 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -1.127 -1.389 0.427 0.00 0.00 -0.309 N ATOM 10 C LIG 1 0.008 -0.608 0.448 0.00 0.00 +0.200 A ATOM 11 N LIG 1 -0.263 0.641 0.153 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 -4.712 2.777 -0.793 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -1.621 0.698 -0.025 0.00 0.00 +0.096 A ATOM 14 C LIG 1 -3.961 3.900 -1.504 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -1.134 5.840 -0.332 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 1.241 -1.121 0.713 0.00 0.00 -0.298 N ATOM 17 C LIG 1 2.194 -0.946 -0.418 0.00 0.00 +0.127 C ATOM 18 C LIG 1 3.154 0.239 -0.218 0.00 0.00 +0.127 C ATOM 19 N LIG 1 3.937 0.106 1.018 0.00 0.00 -0.298 N ATOM 20 C LIG 1 5.173 0.706 1.247 0.00 0.00 +0.223 C ATOM 21 O LIG 1 5.793 0.481 2.294 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 3.321 -0.702 2.077 0.00 0.00 +0.127 C ATOM 23 C LIG 1 1.786 -0.643 2.020 0.00 0.00 +0.127 C BRANCH 20 24 ATOM 24 C LIG 1 5.724 1.635 0.152 0.00 0.00 +0.126 C ATOM 25 C LIG 1 5.032 2.984 -0.076 0.00 0.00 +0.174 C ATOM 26 O LIG 1 6.310 3.667 -0.118 0.00 0.00 -0.378 OA ATOM 27 C LIG 1 6.935 2.512 0.503 0.00 0.00 +0.174 C ENDBRANCH 20 24 ENDBRANCH 10 16 BRANCH 1 29 ATOM 28 C LIG 1 -2.690 7.816 -1.120 0.00 0.00 +0.282 C ATOM 29 O LIG 1 -3.158 6.468 -1.171 0.00 0.00 -0.454 OA ENDBRANCH 1 29 BRANCH 9 30 ATOM 30 C LIG 1 -1.212 -2.838 0.618 0.00 0.00 +0.092 C ATOM 31 C LIG 1 -0.871 -3.248 2.053 0.00 0.00 +0.031 C BRANCH 30 32 ATOM 32 C LIG 1 -0.393 -3.604 -0.441 0.00 0.00 +0.060 C BRANCH 32 33 ATOM 33 C LIG 1 -0.818 -5.047 -0.588 0.00 0.00 -0.045 A ATOM 34 C LIG 1 -1.955 -5.378 -1.338 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -2.357 -6.708 -1.462 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.629 -7.719 -0.838 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -0.496 -7.401 -0.091 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -0.091 -6.071 0.034 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 9 30 TORSDOF 6