REMARK Name = BDB024324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.091 -0.831 -1.784 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.386 -2.018 -0.872 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.162 -3.324 -1.340 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.377 -4.425 -0.508 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.814 -4.236 0.802 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.038 -2.947 1.284 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.822 -1.845 0.455 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.608 -0.337 -1.758 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.198 -0.890 -0.783 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.225 -1.528 -0.123 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.269 0.528 -2.570 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.556 -0.618 -0.589 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.225 0.199 -1.412 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 3.542 0.413 -1.164 0.00 0.00 +0.136 A ATOM 15 C LIG 1 4.276 -0.140 -0.111 0.00 0.00 +0.049 A ATOM 16 C LIG 1 3.544 -1.003 0.710 0.00 0.00 +0.028 A ATOM 17 C LIG 1 2.185 -1.243 0.479 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 5.643 0.087 0.120 0.00 0.00 -0.318 N ATOM 19 C LIG 1 5.959 0.498 1.517 0.00 0.00 +0.201 C ATOM 20 C LIG 1 7.439 0.834 1.795 0.00 0.00 +0.233 C ATOM 21 O LIG 1 7.841 0.904 2.960 0.00 0.00 -0.274 OA ATOM 22 N LIG 1 8.265 1.131 0.713 0.00 0.00 -0.302 N ATOM 23 C LIG 1 9.675 1.366 0.959 0.00 0.00 +0.132 C ATOM 24 C LIG 1 7.892 0.680 -0.621 0.00 0.00 +0.126 C ATOM 25 C LIG 1 6.396 0.833 -0.896 0.00 0.00 +0.124 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.949 0.350 -1.506 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -2.519 1.140 -1.998 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.314 0.168 -2.018 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -4.812 2.683 -2.157 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -5.283 1.317 -1.641 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -5.615 1.323 -0.153 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -6.814 0.743 0.290 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.136 0.715 1.650 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.259 1.263 2.589 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -5.061 1.839 2.161 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -4.741 1.865 0.801 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -6.585 1.230 3.984 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -6.846 1.197 5.114 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9