REMARK Name = BDB004378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.074 -1.121 -1.427 0.00 0.00 +0.118 C ATOM 2 C LIG 1 -1.544 -0.988 -1.534 0.00 0.00 +0.141 C ATOM 3 C LIG 1 -0.743 -1.869 -0.552 0.00 0.00 +0.118 C ATOM 4 C LIG 1 -1.678 -2.579 0.443 0.00 0.00 +0.096 C ATOM 5 N LIG 1 -2.761 -3.325 -0.204 0.00 0.00 -0.314 NA ATOM 6 H LIG 1 -2.432 -4.233 -0.527 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 -3.439 -2.602 -1.279 0.00 0.00 +0.096 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 -5.061 -0.271 -0.280 0.00 0.00 -0.310 N ATOM 9 H LIG 1 -5.581 -0.733 -1.018 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -3.687 -0.241 -0.340 0.00 0.00 +0.220 C ATOM 11 O LIG 1 -3.005 0.472 0.394 0.00 0.00 -0.275 OA BRANCH 8 12 ATOM 12 C LIG 1 -5.822 0.491 0.706 0.00 0.00 +0.099 C BRANCH 12 13 ATOM 13 C LIG 1 -7.288 0.668 0.258 0.00 0.00 +0.182 C BRANCH 13 14 ATOM 14 O LIG 1 -7.372 1.385 -0.981 0.00 0.00 -0.378 OA BRANCH 14 16 ATOM 15 C LIG 1 -7.396 3.459 -2.165 0.00 0.00 +0.034 C ATOM 16 C LIG 1 -7.372 2.803 -0.801 0.00 0.00 +0.156 C ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 12 13 BRANCH 12 17 ATOM 17 C LIG 1 -5.690 -0.089 2.130 0.00 0.00 +0.027 C BRANCH 17 18 ATOM 18 C LIG 1 -5.757 -1.622 2.302 0.00 0.00 -0.015 C ATOM 19 C LIG 1 -7.110 -2.224 1.924 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -5.434 -1.979 3.757 0.00 0.00 +0.007 C ENDBRANCH 17 18 ENDBRANCH 12 17 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 3 21 ATOM 21 C LIG 1 0.353 -1.114 0.214 0.00 0.00 +0.228 C ATOM 22 N LIG 1 1.579 -0.899 -0.450 0.00 0.00 -0.253 N ATOM 23 O LIG 1 0.132 -0.776 1.380 0.00 0.00 -0.275 OA BRANCH 22 24 ATOM 24 C LIG 1 2.540 -0.041 0.190 0.00 0.00 +0.131 A ATOM 25 N LIG 1 2.093 1.041 0.851 0.00 0.00 -0.239 NA ATOM 26 C LIG 1 2.994 1.886 1.394 0.00 0.00 +0.120 A ATOM 27 C LIG 1 4.371 1.731 1.316 0.00 0.00 +0.015 A ATOM 28 C LIG 1 4.831 0.592 0.649 0.00 0.00 +0.129 A ATOM 29 C LIG 1 3.907 -0.294 0.086 0.00 0.00 +0.090 A BRANCH 27 30 ATOM 30 C LIG 1 5.310 2.749 1.937 0.00 0.00 +0.018 C ATOM 31 C LIG 1 5.146 2.809 3.457 0.00 0.00 +0.012 C ATOM 32 C LIG 1 5.125 4.137 1.317 0.00 0.00 +0.012 C ENDBRANCH 27 30 BRANCH 28 33 ATOM 33 O LIG 1 6.190 0.436 0.586 0.00 0.00 -0.491 OA BRANCH 33 34 ATOM 34 C LIG 1 6.699 -0.814 0.109 0.00 0.00 +0.231 C BRANCH 34 35 ATOM 35 C LIG 1 8.221 -0.786 0.217 0.00 0.00 +0.069 C BRANCH 35 36 ATOM 36 C LIG 1 8.852 0.199 -0.762 0.00 0.00 +0.163 C BRANCH 36 37 ATOM 37 O LIG 1 8.619 -0.260 -2.094 0.00 0.00 -0.383 OA ATOM 38 C LIG 1 9.215 0.607 -3.055 0.00 0.00 +0.193 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 22 24 BRANCH 22 39 ATOM 39 C LIG 1 1.977 -1.671 -1.615 0.00 0.00 +0.083 C ATOM 40 C LIG 1 1.411 -1.386 -2.987 0.00 0.00 +0.025 C ATOM 41 C LIG 1 2.854 -1.125 -2.727 0.00 0.00 +0.025 C ENDBRANCH 22 39 ENDBRANCH 3 21 BRANCH 2 42 ATOM 42 O LIG 1 -1.139 0.379 -1.562 0.00 0.00 -0.390 OA ATOM 43 H LIG 1 -1.393 0.770 -0.696 0.00 0.00 +0.210 HD ENDBRANCH 2 42 TORSDOF 17