REMARK Name = BDB032432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.998 -0.212 -1.274 0.00 0.00 +0.215 A ATOM 2 N LIG 1 -1.131 -0.747 -2.506 0.00 0.00 -0.221 NA ATOM 3 C LIG 1 -0.023 -0.768 -3.277 0.00 0.00 +0.115 A ATOM 4 C LIG 1 1.207 -0.272 -2.876 0.00 0.00 +0.025 A ATOM 5 C LIG 1 1.322 0.286 -1.599 0.00 0.00 -0.024 A ATOM 6 C LIG 1 0.188 0.310 -0.782 0.00 0.00 +0.072 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -2.085 -0.157 -0.424 0.00 0.00 -0.476 OA BRANCH 7 8 ATOM 8 C LIG 1 -3.265 -0.745 -0.979 0.00 0.00 +0.234 C BRANCH 8 14 ATOM 9 C LIG 1 -7.643 1.879 2.504 0.00 0.00 +0.109 C ATOM 10 C LIG 1 -7.508 0.395 2.288 0.00 0.00 +0.213 C ATOM 11 N LIG 1 -6.928 0.004 1.108 0.00 0.00 -0.298 N ATOM 12 C LIG 1 -6.296 0.832 0.078 0.00 0.00 +0.077 C ATOM 13 C LIG 1 -4.782 0.841 0.352 0.00 0.00 +0.029 C ATOM 14 C LIG 1 -4.383 -0.633 0.061 0.00 0.00 +0.033 C ATOM 15 C LIG 1 -5.720 -1.258 -0.418 0.00 0.00 +0.014 C ATOM 16 C LIG 1 -6.384 -0.081 -1.145 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -6.654 -1.394 0.802 0.00 0.00 +0.112 C ATOM 18 O LIG 1 -7.910 -0.410 3.126 0.00 0.00 -0.276 OA ENDBRANCH 8 14 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 5 19 ATOM 19 C LIG 1 2.643 0.828 -1.114 0.00 0.00 +0.137 C BRANCH 19 20 ATOM 20 N LIG 1 3.574 -0.278 -0.937 0.00 0.00 -0.340 N ATOM 21 H LIG 1 3.130 -1.092 -0.517 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 4.841 -0.040 -0.397 0.00 0.00 +0.028 A ATOM 23 C LIG 1 5.581 -1.134 0.077 0.00 0.00 +0.031 A ATOM 24 C LIG 1 6.891 -0.997 0.577 0.00 0.00 -0.011 A ATOM 25 C LIG 1 7.509 0.268 0.584 0.00 0.00 +0.022 A ATOM 26 C LIG 1 8.827 0.349 1.100 0.00 0.00 +0.124 A ATOM 27 N LIG 1 9.497 -0.717 1.573 0.00 0.00 -0.240 NA ATOM 28 C LIG 1 8.875 -1.911 1.546 0.00 0.00 +0.113 A ATOM 29 C LIG 1 6.778 1.361 0.068 0.00 0.00 +0.014 A ATOM 30 C LIG 1 7.594 -2.101 1.066 0.00 0.00 +0.028 A ATOM 31 C LIG 1 5.476 1.202 -0.425 0.00 0.00 +0.023 A BRANCH 26 32 ATOM 32 N LIG 1 9.519 1.570 1.142 0.00 0.00 -0.343 N ATOM 33 H LIG 1 9.607 1.934 0.199 0.00 0.00 +0.144 HD ATOM 34 H LIG 1 8.992 2.232 1.701 0.00 0.00 +0.144 HD ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 5 19 TORSDOF 7