REMARK Name = BDB020707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.947 0.537 -1.669 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.491 0.260 -1.768 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.865 -0.896 -2.666 0.00 0.00 +0.046 C ATOM 4 C LIG 1 1.361 1.039 -1.054 0.00 0.00 +0.044 A ATOM 5 N LIG 1 0.809 2.109 -0.285 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.542 2.490 -0.347 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.705 3.684 0.330 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.502 3.919 1.025 0.00 0.00 +0.030 A ATOM 9 C LIG 1 1.395 2.944 0.646 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -1.429 1.601 -1.006 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.962 4.608 0.417 0.00 0.00 +0.070 A ATOM 12 N LIG 1 -3.064 4.720 -0.393 0.00 0.00 -0.333 N ATOM 13 C LIG 1 -3.278 4.182 -1.713 0.00 0.00 +0.150 C ATOM 14 C LIG 1 -3.891 5.663 0.162 0.00 0.00 +0.199 A ATOM 15 N LIG 1 -3.367 6.203 1.236 0.00 0.00 -0.243 NA ATOM 16 C LIG 1 -2.157 5.577 1.385 0.00 0.00 +0.139 A ENDBRANCH 7 11 BRANCH 1 19 ATOM 17 N LIG 1 -2.079 -1.571 -1.676 0.00 0.00 -0.307 N ATOM 18 H LIG 1 -1.492 -1.778 -0.874 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -2.007 -0.332 -2.257 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -2.763 0.079 -3.129 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 -3.145 -2.503 -1.964 0.00 0.00 +0.145 C BRANCH 21 28 ATOM 22 C LIG 1 -6.987 -2.287 2.398 0.00 0.00 +0.063 C ATOM 23 C LIG 1 -6.066 -2.288 1.218 0.00 0.00 +0.016 A ATOM 24 N LIG 1 -4.854 -2.913 1.371 0.00 0.00 -0.326 N ATOM 25 H LIG 1 -4.611 -3.344 2.254 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 -3.893 -2.992 0.396 0.00 0.00 +0.254 A ATOM 27 O LIG 1 -2.817 -3.546 0.603 0.00 0.00 -0.268 OA ATOM 28 C LIG 1 -4.218 -2.358 -0.925 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.418 -1.752 -1.071 0.00 0.00 -0.039 A ATOM 30 C LIG 1 -5.907 -1.065 -2.317 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -6.359 -1.716 0.042 0.00 0.00 +0.024 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 32 ATOM 32 C LIG 1 2.882 0.798 -1.133 0.00 0.00 +0.101 C ATOM 33 C LIG 1 3.835 2.000 -0.996 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 3.288 -0.394 -0.367 0.00 0.00 -0.294 NA ATOM 35 C LIG 1 3.215 -0.316 1.091 0.00 0.00 +0.086 C ATOM 36 C LIG 1 4.579 -0.327 1.780 0.00 0.00 +0.034 C ATOM 37 C LIG 1 5.436 -1.566 1.418 0.00 0.00 +0.058 C ATOM 38 C LIG 1 4.948 -2.162 0.077 0.00 0.00 +0.034 C ATOM 39 C LIG 1 4.490 -1.057 -0.874 0.00 0.00 +0.086 C BRANCH 37 40 ATOM 40 N LIG 1 5.497 -2.561 2.523 0.00 0.00 -0.305 NA ATOM 41 C LIG 1 6.271 -2.050 3.665 0.00 0.00 +0.104 C ATOM 42 C LIG 1 6.087 -3.841 2.111 0.00 0.00 +0.104 C ENDBRANCH 37 40 ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 7