REMARK Name = BDB004597 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.850 0.094 -2.157 0.00 0.00 +0.138 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 -1.711 -1.239 -1.777 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -0.598 -0.397 -1.733 0.00 0.00 +0.028 A ATOM 4 C LIG 1 0.648 -0.821 -2.228 0.00 0.00 -0.029 A ATOM 5 C LIG 1 0.772 -2.115 -2.747 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.332 -2.963 -2.791 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -1.567 -2.526 -2.309 0.00 0.00 +0.023 A BRANCH 2 11 ATOM 8 N LIG 1 -4.701 0.278 -0.372 0.00 0.00 -0.299 N ATOM 9 H LIG 1 -4.884 -0.585 0.120 0.00 0.00 +0.150 HD ATOM 10 C LIG 1 -3.400 0.355 -0.842 0.00 0.00 +0.304 C ATOM 11 N LIG 1 -2.985 -0.880 -1.294 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.723 -1.557 -1.417 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 -2.755 1.393 -0.848 0.00 0.00 -0.253 OA BRANCH 8 14 ATOM 14 C LIG 1 -5.310 1.450 0.232 0.00 0.00 +0.108 C BRANCH 14 15 ATOM 15 C LIG 1 -6.836 1.397 0.211 0.00 0.00 +0.047 C BRANCH 15 16 ATOM 16 C LIG 1 -7.436 0.237 0.998 0.00 0.00 +0.161 C BRANCH 16 18 ATOM 17 C LIG 1 -7.535 -0.760 3.131 0.00 0.00 +0.193 C ATOM 18 O LIG 1 -6.946 0.260 2.336 0.00 0.00 -0.383 OA ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 2 11 ENDBRANCH 1 4 BRANCH 1 19 ATOM 19 N LIG 1 2.640 -0.274 -0.988 0.00 0.00 -0.324 N ATOM 20 H LIG 1 2.062 -0.248 -0.152 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 C LIG 1 3.792 0.512 -0.773 0.00 0.00 +0.130 A ATOM 22 C LIG 1 4.610 0.251 0.347 0.00 0.00 +0.041 A ATOM 23 C LIG 1 5.738 1.078 0.512 0.00 0.00 +0.088 A ATOM 24 C LIG 1 6.560 0.842 1.635 0.00 0.00 +0.063 A ATOM 25 C LIG 1 6.272 -0.188 2.552 0.00 0.00 +0.015 A ATOM 26 C LIG 1 5.168 -1.005 2.371 0.00 0.00 +0.002 A ATOM 27 N LIG 1 6.007 2.052 -0.386 0.00 0.00 -0.235 NA ATOM 28 C LIG 1 5.179 2.192 -1.428 0.00 0.00 +0.223 A ATOM 29 C LIG 1 4.344 -0.787 1.275 0.00 0.00 +0.013 A ATOM 30 N LIG 1 4.089 1.467 -1.667 0.00 0.00 -0.220 NA BRANCH 24 31 ATOM 31 C LIG 1 7.786 1.647 1.938 0.00 0.00 +0.244 C ATOM 32 O LIG 1 8.497 1.395 2.906 0.00 0.00 -0.270 OA ATOM 33 N LIG 1 8.107 2.681 1.111 0.00 0.00 -0.325 N ATOM 34 H LIG 1 8.947 3.211 1.291 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 7.549 2.879 0.285 0.00 0.00 +0.145 HD ENDBRANCH 24 31 ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 9