REMARK Name = BDB024801 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.199 -4.676 -0.371 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.237 -3.350 0.095 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.528 -2.744 0.503 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.052 -3.371 1.809 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.497 -1.222 0.712 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.629 -0.557 -0.331 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.245 -1.115 -0.185 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.100 -0.297 -0.285 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -2.017 1.060 -0.482 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.731 1.353 -0.494 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.027 0.214 -0.323 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.832 -0.853 -0.177 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -0.631 -2.218 0.034 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -1.774 -3.024 0.125 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.074 -2.505 0.015 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -3.210 -5.278 -0.776 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -5.460 -6.600 -0.869 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -5.437 -5.260 -0.377 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.478 0.127 -0.296 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 2.042 0.435 1.095 0.00 0.00 +0.102 C BRANCH 20 21 ATOM 21 N LIG 1 3.509 0.422 1.129 0.00 0.00 -0.313 NA ATOM 22 H LIG 1 3.821 0.955 1.942 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 4.052 -0.944 1.219 0.00 0.00 +0.100 C BRANCH 23 24 ATOM 24 C LIG 1 5.592 -0.960 1.183 0.00 0.00 +0.124 C BRANCH 24 25 ATOM 25 N LIG 1 6.152 -0.656 -0.122 0.00 0.00 -0.283 N ATOM 26 C LIG 1 6.146 -1.569 -1.173 0.00 0.00 +0.302 C ATOM 27 O LIG 1 5.889 -2.759 -1.117 0.00 0.00 -0.253 OA ATOM 28 N LIG 1 6.486 -0.882 -2.328 0.00 0.00 -0.298 N ATOM 29 H LIG 1 6.711 -1.397 -3.168 0.00 0.00 +0.150 HD ATOM 30 C LIG 1 6.876 0.467 -2.021 0.00 0.00 +0.124 C ATOM 31 C LIG 1 6.290 0.692 -0.633 0.00 0.00 +0.128 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 32 ATOM 32 C LIG 1 -0.187 2.736 -0.646 0.00 0.00 +0.096 C BRANCH 32 33 ATOM 33 C LIG 1 -0.600 3.610 0.542 0.00 0.00 +0.132 C BRANCH 33 34 ATOM 34 N LIG 1 -0.023 4.953 0.460 0.00 0.00 -0.315 N ATOM 35 C LIG 1 1.286 5.142 0.905 0.00 0.00 +0.251 A ATOM 36 O LIG 1 2.001 4.257 1.368 0.00 0.00 -0.268 OA ATOM 37 C LIG 1 1.820 6.526 0.786 0.00 0.00 +0.070 A ATOM 38 C LIG 1 1.068 7.495 0.249 0.00 0.00 +0.007 A ATOM 39 C LIG 1 -0.265 7.213 -0.218 0.00 0.00 +0.018 A ATOM 40 C LIG 1 -0.766 5.977 -0.104 0.00 0.00 +0.089 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 10