REMARK Name = BDB008739 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.050 -0.910 -0.296 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.726 -0.999 -0.496 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -0.023 0.146 -0.610 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.582 1.407 -0.527 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.954 1.492 -0.306 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -2.701 0.315 -0.203 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.616 2.801 -0.229 0.00 0.00 +0.056 A ATOM 8 N LIG 1 -2.824 3.523 0.971 0.00 0.00 -0.296 N ATOM 9 C LIG 1 -3.470 4.764 0.989 0.00 0.00 +0.138 A ATOM 10 N LIG 1 -3.565 5.256 2.203 0.00 0.00 -0.233 NA ATOM 11 C LIG 1 -2.968 4.336 3.022 0.00 0.00 +0.060 A ATOM 12 C LIG 1 -2.894 4.582 4.481 0.00 0.00 +0.067 C ATOM 13 C LIG 1 -3.919 5.304 -0.248 0.00 0.00 +0.047 A ATOM 14 C LIG 1 -3.721 4.624 -1.389 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -2.496 3.253 2.296 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -1.785 2.044 2.780 0.00 0.00 +0.066 C ATOM 17 C LIG 1 -3.054 3.335 -1.390 0.00 0.00 +0.027 A ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.390 -3.367 -0.164 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.834 -2.057 -0.180 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.830 -1.962 -0.005 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -1.231 -3.758 -0.247 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.589 -4.353 -0.090 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -3.148 -5.686 0.509 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -5.975 -4.357 0.438 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -4.690 -3.713 0.686 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -4.467 -3.798 1.681 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 C LIG 1 1.376 -0.031 -0.824 0.00 0.00 -0.041 C ATOM 28 C LIG 1 2.553 -0.197 -1.002 0.00 0.00 -0.060 C BRANCH 28 29 ATOM 29 C LIG 1 3.949 -0.422 -1.209 0.00 0.00 +0.026 A ATOM 30 C LIG 1 4.809 0.652 -1.441 0.00 0.00 +0.025 A ATOM 31 C LIG 1 6.184 0.442 -1.646 0.00 0.00 -0.014 A ATOM 32 C LIG 1 6.709 -0.870 -1.619 0.00 0.00 +0.003 A ATOM 33 C LIG 1 8.100 -1.013 -1.832 0.00 0.00 +0.046 A ATOM 34 N LIG 1 8.932 0.037 -2.057 0.00 0.00 -0.260 NA ATOM 35 C LIG 1 8.389 1.269 -2.074 0.00 0.00 +0.111 A ATOM 36 C LIG 1 8.763 -2.362 -1.824 0.00 0.00 +0.066 C ATOM 37 C LIG 1 5.818 -1.942 -1.383 0.00 0.00 +0.011 A ATOM 38 C LIG 1 7.044 1.520 -1.877 0.00 0.00 +0.028 A ATOM 39 C LIG 1 4.453 -1.719 -1.181 0.00 0.00 +0.017 A ENDBRANCH 28 29 ENDBRANCH 3 27 TORSDOF 6