REMARK Name = BDB001924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.306 -0.356 0.083 0.00 0.00 +0.164 A ATOM 2 N LIG 1 0.154 0.288 -0.195 0.00 0.00 -0.208 NA ATOM 3 C LIG 1 -0.907 -0.532 -0.156 0.00 0.00 +0.164 A ATOM 4 C LIG 1 -0.897 -1.887 0.114 0.00 0.00 +0.078 A ATOM 5 C LIG 1 -2.256 -2.261 0.073 0.00 0.00 +0.148 A ATOM 6 N LIG 1 -3.070 -1.244 -0.231 0.00 0.00 -0.177 NA ATOM 7 C LIG 1 0.344 -2.490 0.366 0.00 0.00 +0.136 A ATOM 8 N LIG 1 -2.220 -0.197 -0.366 0.00 0.00 -0.243 N ATOM 9 N LIG 1 1.433 -1.677 0.359 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -2.734 1.135 -0.670 0.00 0.00 +0.112 C ATOM 11 C LIG 1 -3.743 1.124 -1.833 0.00 0.00 +0.046 C ATOM 12 C LIG 1 -5.182 1.153 -1.335 0.00 0.00 +0.113 C ATOM 13 N LIG 1 -5.429 2.319 -0.487 0.00 0.00 -0.267 N ATOM 14 C LIG 1 -6.684 2.882 -0.336 0.00 0.00 +0.403 C ATOM 15 O LIG 1 -6.910 3.874 0.348 0.00 0.00 -0.226 OA ATOM 16 C LIG 1 -4.311 2.869 0.269 0.00 0.00 +0.113 C ATOM 17 C LIG 1 -3.282 1.800 0.602 0.00 0.00 +0.046 C BRANCH 14 18 ATOM 18 O LIG 1 -7.643 2.211 -1.031 0.00 0.00 -0.454 OA ATOM 19 C LIG 1 -8.955 2.755 -0.893 0.00 0.00 +0.282 C ENDBRANCH 14 18 ENDBRANCH 8 10 BRANCH 1 23 ATOM 20 C LIG 1 4.942 2.001 0.091 0.00 0.00 +0.036 A ATOM 21 C LIG 1 3.705 2.600 -0.154 0.00 0.00 +0.024 A ATOM 22 C LIG 1 2.528 1.837 -0.157 0.00 0.00 +0.013 A ATOM 23 C LIG 1 2.547 0.452 0.085 0.00 0.00 +0.019 A ATOM 24 C LIG 1 3.805 -0.129 0.329 0.00 0.00 +0.013 A ATOM 25 C LIG 1 4.985 0.630 0.332 0.00 0.00 +0.024 A BRANCH 20 27 ATOM 26 C LIG 1 7.381 2.490 0.287 0.00 0.00 +0.404 C ATOM 27 N LIG 1 6.075 2.830 0.078 0.00 0.00 -0.251 N ATOM 28 H LIG 1 5.944 3.814 -0.106 0.00 0.00 +0.158 HD ATOM 29 O LIG 1 7.844 1.386 0.531 0.00 0.00 -0.226 OA BRANCH 26 31 ATOM 30 C LIG 1 9.530 3.414 0.375 0.00 0.00 +0.282 C ATOM 31 O LIG 1 8.130 3.621 0.178 0.00 0.00 -0.453 OA ENDBRANCH 26 31 ENDBRANCH 20 27 ENDBRANCH 1 23 BRANCH 7 32 ATOM 32 N LIG 1 0.477 -3.859 0.658 0.00 0.00 -0.310 N ATOM 33 C LIG 1 1.784 -4.194 1.269 0.00 0.00 +0.134 C ATOM 34 C LIG 1 1.821 -5.693 1.606 0.00 0.00 +0.178 C ATOM 35 O LIG 1 1.594 -6.497 0.435 0.00 0.00 -0.377 OA ATOM 36 C LIG 1 0.315 -6.187 -0.140 0.00 0.00 +0.178 C ATOM 37 C LIG 1 0.213 -4.702 -0.530 0.00 0.00 +0.134 C ENDBRANCH 7 32 TORSDOF 6