REMARK Name = BDB045784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.099 0.054 0.746 0.00 0.00 +0.248 C ATOM 2 N LIG 1 -1.112 -0.647 0.079 0.00 0.00 -0.281 N ATOM 3 H LIG 1 -1.414 -1.335 -0.599 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -1.950 1.008 1.499 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -5.103 -2.180 0.104 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -6.115 -1.223 -0.005 0.00 0.00 +0.054 A ATOM 7 C LIG 1 -5.823 0.145 0.135 0.00 0.00 -0.007 A ATOM 8 C LIG 1 -4.503 0.544 0.377 0.00 0.00 +0.022 A ATOM 9 C LIG 1 -3.486 -0.411 0.474 0.00 0.00 +0.041 A ATOM 10 C LIG 1 -3.791 -1.771 0.352 0.00 0.00 +0.058 A BRANCH 7 11 ATOM 11 C LIG 1 -6.888 1.154 0.034 0.00 0.00 +0.063 A ATOM 12 C LIG 1 -6.887 2.194 -1.040 0.00 0.00 +0.262 A ATOM 13 O LIG 1 -6.020 2.240 -1.907 0.00 0.00 -0.267 OA ATOM 14 N LIG 1 -7.919 3.093 -1.012 0.00 0.00 -0.275 N ATOM 15 H LIG 1 -7.936 3.800 -1.730 0.00 0.00 +0.173 HD ATOM 16 C LIG 1 -8.939 3.101 -0.105 0.00 0.00 +0.327 A ATOM 17 O LIG 1 -9.846 3.925 -0.141 0.00 0.00 -0.247 OA ATOM 18 N LIG 1 -8.885 2.125 0.851 0.00 0.00 -0.314 N ATOM 19 H LIG 1 -9.635 2.138 1.534 0.00 0.00 +0.170 HD ATOM 20 C LIG 1 -7.892 1.187 0.923 0.00 0.00 +0.101 A ENDBRANCH 7 11 BRANCH 5 22 ATOM 21 C LIG 1 -6.568 -4.013 -0.297 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -5.261 -3.534 -0.004 0.00 0.00 -0.495 OA ENDBRANCH 5 22 ENDBRANCH 1 9 BRANCH 2 23 ATOM 23 C LIG 1 0.282 -0.456 0.169 0.00 0.00 +0.034 A ATOM 24 C LIG 1 0.892 0.457 1.026 0.00 0.00 +0.025 A ATOM 25 C LIG 1 2.288 0.581 1.056 0.00 0.00 +0.025 A ATOM 26 C LIG 1 3.098 -0.210 0.235 0.00 0.00 +0.034 A ATOM 27 C LIG 1 2.488 -1.122 -0.624 0.00 0.00 +0.025 A ATOM 28 C LIG 1 1.092 -1.244 -0.654 0.00 0.00 +0.025 A BRANCH 26 29 ATOM 29 N LIG 1 4.492 -0.016 0.327 0.00 0.00 -0.284 N ATOM 30 H LIG 1 4.788 0.696 0.981 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 5.491 -0.719 -0.334 0.00 0.00 +0.234 C ATOM 32 O LIG 1 5.309 -1.704 -1.047 0.00 0.00 -0.274 OA BRANCH 31 33 ATOM 33 C LIG 1 6.922 -0.203 -0.001 0.00 0.00 +0.141 C ATOM 34 N LIG 1 7.912 -0.938 -0.815 0.00 0.00 -0.306 NA ATOM 35 H LIG 1 7.736 -1.941 -0.728 0.00 0.00 +0.123 HD ATOM 36 C LIG 1 9.281 -0.601 -0.448 0.00 0.00 +0.081 C ATOM 37 C LIG 1 9.542 0.885 -0.683 0.00 0.00 +0.015 C ATOM 38 C LIG 1 8.521 1.754 0.047 0.00 0.00 +0.003 C ATOM 39 C LIG 1 7.092 1.301 -0.254 0.00 0.00 +0.028 C ENDBRANCH 31 33 ENDBRANCH 26 29 ENDBRANCH 2 23 TORSDOF 6